N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine

C17H27NO2 — CID 62584366

IUPACN-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
SMILESCCOc1cccc(OCCNC2CCC(C)CC2)c1
InChIInChI=1S/C17H27NO2/c1-3-19-16-5-4-6-17(13-16)20-12-11-18-15-9-7-14(2)8-10-15/h4-6,13-15,18H,3,7-12H2,1-2H3
InChIKeyHTVJJRJPUJASJJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.63
Rot. Bonds7

About N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine

N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 62584366) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
PubChem CID62584366
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC NameN-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine
SMILESCCOc1cccc(OCCNC2CCC(C)CC2)c1
InChIInChI=1S/C17H27NO2/c1-3-19-16-5-4-6-17(13-16)20-12-11-18-15-9-7-14(2)8-10-15/h4-6,13-15,18H,3,7-12H2,1-2H3
InChIKeyHTVJJRJPUJASJJ-UHFFFAOYSA-N
XLogP3.63
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-tert-butylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63517538
3-[2-[(4-methylcyclohexyl)amino]ethoxy]benzoic acid
CID 103233999
N-[2-(3-phenoxyphenoxy)ethyl]cyclopropanamine
CID 62597379
N-[2-(3-fluorophenoxy)ethyl]cyclopropanamine
CID 29015732
N-[2-(3-methylphenoxy)ethyl]cyclopentanamine
CID 54798962
N-[2-(4-chloro-3-methylphenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 63504887
N-[2-(3,5-difluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 62784905
N-[2-(3-propoxyphenyl)ethyl]cyclopropanamine
CID 64866845
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
CID 79019318
1-cyclopropyl-3-[2-(3-ethoxyphenoxy)ethyl]urea
CID 112972938
N-[2-(4-bromo-3-fluorophenoxy)ethyl]-4-methylcyclohexan-1-amine
CID 65200968
N-(dicyclopropylmethyl)-2-(3-ethoxyphenoxy)ethanamine
CID 62583433

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine (CID 62584366) is N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine is CCOc1cccc(OCCNC2CCC(C)CC2)c1.
What is the InChIKey of N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is HTVJJRJPUJASJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-3-19-16-5-4-6-17(13-16)20-12-11-18-15-9-7-14(2)8-10-15/h4-6,13-15,18H,3,7-12H2,1-2H3.
What are the key properties of N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine?
N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-ethoxyphenoxy)ethyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 62584366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).