[2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine

C18H29NO2 — CID 81012452

IUPAC[2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCOc1ccc(C2CC(C(C)C)CCC2CN)c(OC)c1
InChIInChI=1S/C18H29NO2/c1-12(2)13-5-6-14(11-19)17(9-13)16-8-7-15(20-3)10-18(16)21-4/h7-8,10,12-14,17H,5-6,9,11,19H2,1-4H3
InChIKeyYUYKEGFWGBCYIB-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.82
Rot. Bonds5

About [2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine

[2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine (PubChem CID 81012452) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is [2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine.

Molecular Properties

Compound Name[2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine
PubChem CID81012452
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name[2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine
SMILESCOc1ccc(C2CC(C(C)C)CCC2CN)c(OC)c1
InChIInChI=1S/C18H29NO2/c1-12(2)13-5-6-14(11-19)17(9-13)16-8-7-15(20-3)10-18(16)21-4/h7-8,10,12-14,17H,5-6,9,11,19H2,1-4H3
InChIKeyYUYKEGFWGBCYIB-UHFFFAOYSA-N
XLogP3.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]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

[2-(2-fluoro-4-methoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 103396956
trans-(1S,2R)-2-(2,4-dimethoxyphenyl)cyclopropan-1-amine
CID 39238725
[2-(2,5-difluorophenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81011940
[2-(3-chlorophenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81012361
2-(2-methoxy-5-methylphenyl)-4-propan-2-ylcyclohexan-1-amine
CID 81014847
[2-(4-fluoro-3-methylphenyl)-4-propan-2-ylcyclohexyl]methanamine
CID 81011357
(3S,4S)-4-(2,4-dimethoxyphenyl)-1-methylpyrrolidin-3-amine
CID 96594536
2-(2,4-dimethoxyphenyl)cyclobutane-1-carboxylic acid
CID 81008806
3-(2,4-dimethoxyphenyl)cyclopentan-1-amine
CID 64503651
2-(2,4-dimethoxyphenyl)cycloheptan-1-ol
CID 62800812
[(1S,2S)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 94557662
[(1R,2R)-2-(2,3-dimethoxyphenyl)cyclopropyl]methanamine
CID 94557663

Frequently Asked Questions

What is the IUPAC name of [2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine?
The IUPAC name of [2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine (CID 81012452) is [2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine.
What is the SMILES notation for [2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine?
The canonical SMILES for [2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine is COc1ccc(C2CC(C(C)C)CCC2CN)c(OC)c1.
What is the InChIKey of [2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine?
The InChIKey is YUYKEGFWGBCYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12(2)13-5-6-14(11-19)17(9-13)16-8-7-15(20-3)10-18(16)21-4/h7-8,10,12-14,17H,5-6,9,11,19H2,1-4H3.
What are the key properties of [2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine?
[2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine has a molecular weight of 291.44 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,4-dimethoxyphenyl)-4-propan-2-ylcyclohexyl]methanamine is sourced from PubChem (CID 81012452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).