1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine

C16H25NO — CID 103432752

IUPAC1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine
SMILESCOc1c(C2(N)CCCC(C)C2)ccc(C)c1C
InChIInChI=1S/C16H25NO/c1-11-6-5-9-16(17,10-11)14-8-7-12(2)13(3)15(14)18-4/h7-8,11H,5-6,9-10,17H2,1-4H3
InChIKeyXBFNXUQWLMCCHF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.68
Rot. Bonds2

About 1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine

1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine (PubChem CID 103432752) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine
PubChem CID103432752
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine
SMILESCOc1c(C2(N)CCCC(C)C2)ccc(C)c1C
InChIInChI=1S/C16H25NO/c1-11-6-5-9-16(17,10-11)14-8-7-12(2)13(3)15(14)18-4/h7-8,11H,5-6,9-10,17H2,1-4H3
InChIKeyXBFNXUQWLMCCHF-UHFFFAOYSA-N
XLogP3.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine 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-(2-methoxy-3,4-dimethylphenyl)cycloheptan-1-amine
CID 103432757
1-(2-methoxy-3,4-dimethylphenyl)-3,3,5-trimethylcyclohexan-1-amine
CID 103432756
1-(2-methoxy-3,4-dimethylphenyl)-2,5-dimethylcyclohexan-1-amine
CID 103432810
1-(4-fluoro-2-methoxy-3-methylphenyl)cyclohexan-1-amine
CID 117347352
1-(2,4-dimethoxy-3-methylphenyl)cyclobutan-1-amine
CID 117316614
1-(2,3-difluoro-4-methylphenyl)-3-methylcyclopentan-1-amine
CID 107512496
3-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclopentan-1-ol
CID 103434384
3-ethyl-1-(2-methoxy-3,4-dimethylphenyl)cyclohexan-1-ol
CID 103432568
[1-(2-methoxy-3,4-dimethylphenyl)cyclopropyl]methanamine
CID 117293943
1-(2-chlorophenyl)-3-methylcyclohexan-1-amine
CID 61029803
1-(3-bromo-2-methoxy-4-methylphenyl)cyclohexan-1-amine
CID 117480335
1-(3-fluoro-4-methylphenyl)-3-methylcyclohexan-1-amine
CID 107128227

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine (CID 103432752) is 1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine is COc1c(C2(N)CCCC(C)C2)ccc(C)c1C.
What is the InChIKey of 1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine?
The InChIKey is XBFNXUQWLMCCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11-6-5-9-16(17,10-11)14-8-7-12(2)13(3)15(14)18-4/h7-8,11H,5-6,9-10,17H2,1-4H3.
What are the key properties of 1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine?
1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine has a molecular weight of 247.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,4-dimethylphenyl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 103432752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).