• N-Ethyl-1-(3-methoxyphenyl)cyclohexanamine
  • N-Ethyl-1-(3-methoxyphenyl)cyclohexanamine

N-Ethyl-1-(3-methoxyphenyl)cyclohexanamine

No.57461569
Molecular Formula
Synonyms
  • 3-Methoxy-pce
  • 3-Meo-pce
  • N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
  • 1364933-80-1
  • 3-Methoxyeticyclidine
Molecular Weight
233.35 g/mol
  • N-Ethyl-1-(3-methoxyphenyl)cyclohexanamine

Description

2 Names and Identifiers

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
Computed by Lexichem TK 2.7.0 (PubChem release 2025.04.14)
▼ PubChem
Source PubChem
URL https://pubchem.ncbi.nlm.nih.gov
Description Data deposited in or computed by PubChem

2.1.2 InChI

InChI=1S/C15H23NO/c1-3-16-15(10-5-4-6-11-15)13-8-7-9-14(12-13)17-2/h7-9,12,16H,3-6,10-11H2,1-2H3
Computed by InChI 1.07.2 (PubChem release 2025.04.14)
▼ PubChem
Source PubChem
URL https://pubchem.ncbi.nlm.nih.gov
Description Data deposited in or computed by PubChem

2.1.3 InChIKey

OFGOOZLOGUNDFS-UHFFFAOYSA-N
Computed by InChI 1.07.2 (PubChem release 2025.04.14)
▼ PubChem
Source PubChem
URL https://pubchem.ncbi.nlm.nih.gov
Description Data deposited in or computed by PubChem

2.1.4 SMILES

CCNC1(CCCCC1)C2=CC(=CC=C2)OC
Computed by OEChem 2.3.0 (PubChem release 2025.04.14)
▼ PubChem
Source PubChem
URL https://pubchem.ncbi.nlm.nih.gov
Description Data deposited in or computed by PubChem

2.2 Molecular Formula

C₁₅H₂₃NO
Computed by PubChem 2.2 (PubChem release 2025.04.14)
▼ PubChem
Source PubChem
URL https://pubchem.ncbi.nlm.nih.gov
Description Data deposited in or computed by PubChem

2.3 Other Identifiers

2.3.1 CAS

1364933-80-1
▼ CAS Common Chemistry; ChemIDplus; EPA DSStox; FDA Global Substance Registration System (GSRS)
Source CAS Common Chemistry
Record Name N-Ethyl-1-(3-methoxyphenyl)cyclohexanamine
URL https://commonchemistry.cas.org/detail?cas_rn=1364933-80-1
Description CAS Common Chemistry is an open community resource for accessing chemical information. Nearly 500,000 chemical substances from CAS REGISTRY cover areas of community interest, including common and frequently regulated chemicals, and those relevant to high school and undergraduate chemistry classes. This chemical information, curated by our expert scientists, is provided in alignment with our mission as a division of the American Chemical Society.
License The data from CAS Common Chemistry is provided under a CC-BY 4.0 license, unless otherwise stated.
https://creativecommons.org/licenses/by-nc/4.0/
Source ChemIDplus
Record Name N-Ethyl-1-(3-methoxyphenyl)cyclohexanamine
URL https://pubchem.ncbi.nlm.nih.gov/substance/?source=chemidplus&sourceid=1364933801
Description ChemIDplus is a free, web search system that provides access to the structure and nomenclature authority files used for the identification of chemical substances cited in National Library of Medicine (NLM) databases, including the TOXNET system.
License https://www.nlm.nih.gov/copyright.html

Source EPA DSStox
Record Name N-Ethyl-1-(3-methoxyphenyl)cyclohexanamine
URL https://comptox.epa.gov/dashboard/DTXSID70132419
Description DSStox provides a high quality public chemistry resource for supporting improved predictive toxicology.
License https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources
Source FDA Global Substance Registration System (GSRS)
Record Name N-ETHYL-1-(3-METHOXYPHENYL)CYCLOHEXANAMINE
URL https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PX6CYK914H
Description The FDA Global Substance Registration System (GSRS) enables the efficient and accurate exchange of information on what substances are in regulated products. Instead of relying on names, which vary across regulatory domains, countries, and regions, the GSRS knowledge base makes it possible for substances to be defined by standardized, scientific descriptions.
License Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
https://www.fda.gov/about-fda/about-website/website-policies#linking

2.3.2 UNII

PX6CYK914H
▼ FDA Global Substance Registration System (GSRS)
Source FDA Global Substance Registration System (GSRS)
Record Name N-ETHYL-1-(3-METHOXYPHENYL)CYCLOHEXANAMINE
URL https://gsrs.ncats.nih.gov/ginas/app/beta/substances/PX6CYK914H
Description The FDA Global Substance Registration System (GSRS) enables the efficient and accurate exchange of information on what substances are in regulated products. Instead of relying on names, which vary across regulatory domains, countries, and regions, the GSRS knowledge base makes it possible for substances to be defined by standardized, scientific descriptions.
License Unless otherwise noted, the contents of the FDA website (www.fda.gov), both text and graphics, are not copyrighted. They are in the public domain and may be republished, reprinted and otherwise used freely by anyone without the need to obtain permission from FDA. Credit to the U.S. Food and Drug Administration as the source is appreciated but not required.
https://www.fda.gov/about-fda/about-website/website-policies#linking

2.3.3 DSStox Substance ID

DTXSID701032419
▼ EPA DSStox
Source EPA DSStox
Record Name N-Ethyl-1-(3-methoxyphenyl)cyclohexanamine
URL https://comptox.epa.gov/dashboard/DTXSID701032419
Description DSStox provides a high quality public chemistry resource for supporting improved predictive toxicology.
License https://www.epa.gov/privacy/privacy-act-laws-policies-and-resources

2.3.4 Wikidata

Q20707021
▼ Wikidata
Source Wikidata
Record Name 3-MeO-PCE
URL https://www.wikidata.org/wiki/Q20707021
Description Wikidata is a CCZero crowdsourced and curated database, linked to Wikipedia, with a strong machine readable architecture.
License CCZero
https://creativecommons.org/publicdomain/zero/1.0/

2.3.5 Wikipedia

3-MeO-PCE
▼ Wikipedia
Source Wikipedia
Record Name 3-MeO-PCE
URL https://en.wikipedia.org/wiki/3-MeO-PCE
Description Link to the chemical information in Wikipedia.

2.4 Synonyms

2.4.1 MeSH Entry Terms

  • N-ethyl-1-(3-methoxyphenyl)cyclohexanamine
  • 3-MeO-PCE
▼ Medical Subject Headings (MeSH)
Source Medical Subject Headings (MeSH)
Record Name N-ethyl-1-(3-methoxyphenyl)cyclohexanamine
URL https://id.nlm.nih.gov/mesh/M0587826.html
Description MeSH (Medical Subject Headings) is the U.S. National Library of Medicine's controlled vocabulary thesaurus used for indexing articles for PubMed.
License Works produced by the U.S. government are not subject to copyright protection in the United States. Any such works found on National Library of Medicine (NLM) Web sites may be freely used or reproduced without permission in the U.S.
https://www.nlm.nih.gov/copyright.html

2.4.2 Depositor-Supplied Synonyms

  • 3-Methoxy-pce
  • 3-Meo-pce
  • N-ethyl-1-(3-methoxyphenyl)cyclohexan-1-amine
  • 1364933-80-1
  • 3-Methoxyeticyclidine
  • 3-Methoxy eticyclidine
  • PX6CYK914H
  • Cyclohexanamine, N-ethyl-1-(3-methoxyphenyl)-
  • N-Ethyl-1-(3-methoxyphenyl)cyclohexanamine
  • 3-Meo-pce [NFLIS-DRUG]
  • DTXSID701032419
  • 3-MEO-PCE (NFLIS-DRUG)
  • RefChem:163297
  • DTXCID901517425
  • UNII-PX6CYK914H
  • SCHEMBL24429338
  • PD057144
  • 2-(3-methoxyphenyl)-2-(ethylamino)-cyclohexane
  •  
Source PubChem
URL https://pubchem.ncbi.nlm.nih.gov
Description Data deposited in or computed by PubChem

3 Chemical and Physical Properties

3.1 Computed Properties

Property Name Property Value Reference
Molecular Weight 233.35 g/mol Computed by PubChem 2.2 (PubChem release 2025.04.14)
XLogP3-AA 3.2 Computed by XLogP3 3.0 (PubChem release 2025.04.14)
Hydrogen Bond Donor Count 1 Computed by Cactvs 3.4.8.18 (PubChem release 2025.04.14)
Hydrogen Bond Acceptor Count 2 Computed by Cactvs 3.4.8.18 (PubChem release 2025.04.14)
Rotatable Bond Count 4 Computed by Cactvs 3.4.8.18 (PubChem release 2025.04.14)
Exact Mass 233.177964357 Da Computed by PubChem 2.2 (PubChem release 2025.04.14)
Monoisotopic Mass 233.177964357 Da Computed by PubChem 2.2 (PubChem release 2025.04.14)
Topological Polar Surface Area 21.3 Ų Computed by Cactvs 3.4.8.18 (PubChem release 2025.04.14)
Heavy Atom Count 17 Computed by PubChem
Formal Charge 0 Computed by PubChem
Complexity 223 Computed by Cactvs 3.4.8.18 (PubChem release 2025.04.14)
Isotope Atom Count 0 Computed by PubChem
Defined Atom Stereocenter Count 0 Computed by PubChem
Undefined Atom Stereocenter Count 0 Computed by PubChem
Defined Bond Stereocenter Count 0 Computed by PubChem
Undefined Bond Stereocenter Count 0 Computed by PubChem
Covalently-Bonded Unit Count 1 Computed by PubChem
Compound Is Canonicalized Yes Computed by PubChem (release 2025.04.14)

PubChem

Source PubChem
URL https://pubchem.ncbi.nlm.nih.gov
Description Data deposited in or computed by PubChem

4 Spectral Information

4.1 1D NMR Spectra

4.1.1 13C NMR Spectra
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Thumbnail

SpectraBase 

Source SpectraBase
Record Name 3-Methoxy pce
URL https://spectrabase.com/spectrum/CZ1PoANZRq7
Description Wiley Science Solutions (https://sciencesolutions.wiley.com) is a leading publisher of spectral databases and KnowItAll spectroscopy software. SpectraBase provides fast text access to hundreds of thousands of NMR, IR, Raman, UV-Vis, and mass spectra.

4.2 Mass Spectrometry

4.2.1 GC-MS

Technique GC/MS
Source of Spectrum Digilab GmbH (C) 2024
Copyright Copyright © 2024-2025 Digilab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Thumbnail
Source SpectraBase
Record Name 3-Methoxy PCE
URL https://spectrabase.com/spectrum/J11NyRDyWgS
Description Wiley Science Solutions(https://sciencesolutions.wiley.com)

5 Related Records

5.1 Related Compounds with Annotation

Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see the neighbor discontinuation help page for details), but these live search links provide equivalent functionality to the table that was previously shown here.

PubChem 

Source PubChem
URL https://pubchem.ncbi.nlm.nih.gov
Description Data deposited in or computed by PubChem

5.2 Related Compounds

Same Parent, Exact Count 2
Mixtures, Components, and Neutralized Forms Count 3
Similar Compounds (2D) View in PubChem Search
Similar Conformers (3D) View in PubChem Search

PubChem 

Source PubChem
URL https://pubchem.ncbi.nlm.nih.gov
Description Data deposited in or computed by PubChem

5.3 Substances

5.3.1 PubChem Reference Collection SID

  • 500806715

PubChem

Source PubChem
URL https://pubchem.ncbi.nlm.nih.gov
Description Data deposited in or computed by PubChem

5.3.2 Related Substances

All Count 56
Same Count 20
Mixture Count 36

PubChem

Source PubChem
URL https://pubchem.ncbi.nlm.nih.gov
Description Data deposited in or computed by PubChem

5.3.3 Substances by Category

Chemical Vendors 10
Curation Efforts 4
Governmental Organizations 5
Journal Publishers 1
Research and Development 5
Legacy Depositors 1

PubChem 

Source PubChem
URL https://pubchem.ncbi.nlm.nih.gov
Description Data deposited in or computed by PubChem

5.4 NCBI LinkOut

Scitigrity database Other Literature Sources: supplemental materials - This is a controlled substance. Complete access to the full Controlled Substances Squared application for 24 hours

NCBI

Source NCBI
URL https://www.ncbi.nlm.nih.gov/projects/linkout
Description LinkOut is a service that allows one to link directly from NCBI databases to a wide range of information and services beyond NCBI systems.