(2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine

C18H29NO — CID 116769039

IUPAC(2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
SMILESCOC1(C(N)c2ccc(C)cc2C)CCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-13-6-7-15(14(2)12-13)16(19)18(20-5)10-8-17(3,4)9-11-18/h6-7,12,16H,8-11,19H2,1-5H3
InChIKeyOCMVHNFJLQZSJL-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.29
Rot. Bonds3

About (2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine

(2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine (PubChem CID 116769039) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is (2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
PubChem CID116769039
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name(2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
SMILESCOC1(C(N)c2ccc(C)cc2C)CCC(C)(C)CC1
InChIInChI=1S/C18H29NO/c1-13-6-7-15(14(2)12-13)16(19)18(20-5)10-8-17(3,4)9-11-18/h6-7,12,16H,8-11,19H2,1-5H3
InChIKeyOCMVHNFJLQZSJL-UHFFFAOYSA-N
XLogP4.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2,4-dimethylphenyl)-(1-methoxy-4,4-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-chlorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 116769102
(2,4-dimethylphenyl)-(1-methoxycycloheptyl)methanol
CID 116755770
(4-bromo-3-chloro-2-fluorophenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine
CID 106763038
3-[amino-(1-methoxy-4,4-dimethylcyclohexyl)methyl]-4-methylpyridin-2-amine
CID 116768939
2-(4,4-dimethylcyclohexyl)oxy-1-(2,4-dimethylphenyl)ethanamine
CID 114340874
(5-fluoro-2-methylphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713879
1-(2,4-dimethylphenyl)-1-(1-methoxy-4-methylcyclohexyl)-N-methylmethanamine
CID 116766426
2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769197
(1-methoxy-4,4-dimethylcyclohexyl)-(5-methoxy-3-pyridinyl)methanamine
CID 116769046
(2,3-difluoro-4-methylphenyl)-(1-methoxy-4-methylcyclohexyl)methanamine
CID 107513888
2-(2-chloro-4-methylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanol
CID 106867603
(2,4-difluorophenyl)-(1-methoxycycloheptyl)methanamine
CID 116769928

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine?
The IUPAC name of (2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine (CID 116769039) is (2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for (2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for (2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine is COC1(C(N)c2ccc(C)cc2C)CCC(C)(C)CC1.
What is the InChIKey of (2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine?
The InChIKey is OCMVHNFJLQZSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-13-6-7-15(14(2)12-13)16(19)18(20-5)10-8-17(3,4)9-11-18/h6-7,12,16H,8-11,19H2,1-5H3.
What are the key properties of (2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine?
(2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine has a molecular weight of 275.44 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylphenyl)-(1-methoxy-4,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 116769039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).