[1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine

C17H27NO2 — CID 65430450

IUPAC[1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine
SMILESCOc1ccc(CCOC2(CN)CCC(C)CC2)cc1
InChIInChI=1S/C17H27NO2/c1-14-7-10-17(13-18,11-8-14)20-12-9-15-3-5-16(19-2)6-4-15/h3-6,14H,7-13,18H2,1-2H3
InChIKeyOYPFIXNODWJBHG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.16
Rot. Bonds6

About [1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine

[1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine (PubChem CID 65430450) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine
PubChem CID65430450
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name[1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine
SMILESCOc1ccc(CCOC2(CN)CCC(C)CC2)cc1
InChIInChI=1S/C17H27NO2/c1-14-7-10-17(13-18,11-8-14)20-12-9-15-3-5-16(19-2)6-4-15/h3-6,14H,7-13,18H2,1-2H3
InChIKeyOYPFIXNODWJBHG-UHFFFAOYSA-N
XLogP3.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine 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

1-methoxy-4-[(1-methoxy-4-methylcyclohexyl)methyl]benzene
CID 70921631
1-(aminomethyl)-N-ethyl-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 62006924
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methoxy]cyclohexyl]methanamine
CID 65050673
[1-(aminomethyl)-4-methylcyclohexyl]-(4-methoxyphenyl)methanone
CID 116604118
1-[2-(4-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-ol
CID 65444720
[2-[2-(4-methoxyphenyl)ethyl]-4-methylcyclohexyl]methanamine
CID 81011075
N-[[1-(aminomethyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)-N-methylethanamine
CID 115245958
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)ethanamine
CID 115244276
[3-methyl-1-(3-phenoxypropoxy)cyclopentyl]methanamine
CID 65051676
[2-[2-(4-methoxyphenyl)ethyl]cycloheptyl]methanamine
CID 81010620
[4-(2-phenylethoxy)oxan-4-yl]methanamine
CID 65051705
1-(chloromethyl)-N-[(4-methoxyphenyl)methyl]-4-methylcyclohexan-1-amine
CID 65029969

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine (CID 65430450) is [1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine is COc1ccc(CCOC2(CN)CCC(C)CC2)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine?
The InChIKey is OYPFIXNODWJBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-14-7-10-17(13-18,11-8-14)20-12-9-15-3-5-16(19-2)6-4-15/h3-6,14H,7-13,18H2,1-2H3.
What are the key properties of [1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine?
[1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.16, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenyl)ethoxy]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 65430450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).