1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine

C18H29NO2 — CID 105154541

IUPAC1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1OC)C1CCC(C)C(C)C1
InChIInChI=1S/C18H29NO2/c1-12-9-10-14(11-13(12)2)17(19-3)15-7-6-8-16(20-4)18(15)21-5/h6-8,12-14,17,19H,9-11H2,1-5H3
InChIKeyAUQJEGICLMMHIP-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.04
Rot. Bonds5

About 1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine

1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine (PubChem CID 105154541) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
PubChem CID105154541
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine
SMILESCNC(c1cccc(OC)c1OC)C1CCC(C)C(C)C1
InChIInChI=1S/C18H29NO2/c1-12-9-10-14(11-13(12)2)17(19-3)15-7-6-8-16(20-4)18(15)21-5/h6-8,12-14,17,19H,9-11H2,1-5H3
InChIKeyAUQJEGICLMMHIP-UHFFFAOYSA-N
XLogP4.04
TPSA30.49 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 ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine 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-(3,4-dimethylcyclohexyl)-N-methyl-1-naphthalen-1-ylmethanamine
CID 64738647
1-cyclopropyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589051
1-(3,4-dimethylcyclohexyl)-1-(2-fluoro-3-methylphenyl)-N-methylmethanamine
CID 104989351
N-[cyclopropyl-(2,3-dimethoxyphenyl)methyl]ethanamine
CID 105157205
1-cyclobutyl-1-(2-methoxyphenyl)-N-methylmethanamine
CID 64986514
1-cyclohexyl-N-methyl-1-(2,3,4-trimethoxyphenyl)methanamine
CID 43589052
1-(3,4-dimethylcyclohexyl)-1-(6-methoxypyridazin-3-yl)-N-methylmethanamine
CID 103374258
1-(2-methoxyphenyl)-N-methyl-1-(thiolan-3-yl)methanamine
CID 105499558
2-cyclopropyl-2-(2,3-dimethoxyphenyl)acetonitrile
CID 83689906
1-(3,4-dimethylcyclohexyl)-N-methyl-1-(4-methylphenyl)methanamine
CID 64740235
[(2-methoxyphenyl)-(4-methylcyclohexyl)methyl]hydrazine
CID 105191189
1-isoquinolin-5-yl-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 65415186

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
The IUPAC name of 1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine (CID 105154541) is 1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine.
What is the SMILES notation for 1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
The canonical SMILES for 1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine is CNC(c1cccc(OC)c1OC)C1CCC(C)C(C)C1.
What is the InChIKey of 1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
The InChIKey is AUQJEGICLMMHIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-12-9-10-14(11-13(12)2)17(19-3)15-7-6-8-16(20-4)18(15)21-5/h6-8,12-14,17,19H,9-11H2,1-5H3.
What are the key properties of 1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine?
1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine has a molecular weight of 291.44 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethoxyphenyl)-1-(3,4-dimethylcyclohexyl)-N-methylmethanamine is sourced from PubChem (CID 105154541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).