(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine

C17H27NO2 — CID 104988937

IUPAC(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2CC(C)CC(C)C2)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-11-7-12(2)9-13(8-11)17(18)15-6-5-14(19-3)10-16(15)20-4/h5-6,10-13,17H,7-9,18H2,1-4H3
InChIKeyUTOKYYRVWLZVOT-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.78
Rot. Bonds4

About (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine

(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine (PubChem CID 104988937) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine
PubChem CID104988937
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine
SMILESCOc1ccc(C(N)C2CC(C)CC(C)C2)c(OC)c1
InChIInChI=1S/C17H27NO2/c1-11-7-12(2)9-13(8-11)17(18)15-6-5-14(19-3)10-16(15)20-4/h5-6,10-13,17H,7-9,18H2,1-4H3
InChIKeyUTOKYYRVWLZVOT-UHFFFAOYSA-N
XLogP3.78
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)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

(2,4-dimethoxyphenyl)-(3,4-dimethylcyclohexyl)methanamine
CID 104989441
(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine
CID 62905650
(2,4-dimethoxyphenyl)-(3-ethylcyclohexyl)methanamine
CID 65414537
(R)-(2,4-dimethoxyphenyl)-(oxan-4-yl)methanamine;hydrochloride
CID 171246686
(R)-(2,4-dimethoxyphenyl)-piperidin-4-ylmethanamine;hydrochloride
CID 171314189
(2,5-dimethoxyphenyl)-(3-methylcyclohexyl)methanamine
CID 55120876
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
[(2,4-dimethoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105210736
(1S)-1-(2,4-dimethoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 171201072
2-chloro-1-(2,4-dimethoxyphenyl)ethanamine
CID 116937529
(1S)-1-(2,4-dimethoxyphenyl)propane-1,3-diamine
CID 171220608
(1S,2R)-2-amino-1-cyclobutyl-2-(2,4-dimethoxyphenyl)ethanol
CID 171161039

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine?
The IUPAC name of (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine (CID 104988937) is (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine?
The canonical SMILES for (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine is COc1ccc(C(N)C2CC(C)CC(C)C2)c(OC)c1.
What is the InChIKey of (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine?
The InChIKey is UTOKYYRVWLZVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-11-7-12(2)9-13(8-11)17(18)15-6-5-14(19-3)10-16(15)20-4/h5-6,10-13,17H,7-9,18H2,1-4H3.
What are the key properties of (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine?
(2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethoxyphenyl)-(3,5-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 104988937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).