[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine

C15H22ClN — CID 117382961

IUPAC[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
SMILESCc1ccc(Cl)c(C2(CN)CCCCC2)c1C
InChIInChI=1S/C15H22ClN/c1-11-6-7-13(16)14(12(11)2)15(10-17)8-4-3-5-9-15/h6-7H,3-5,8-10,17H2,1-2H3
InChIKeyABCKLCAHQCACRJ-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.12
Rot. Bonds2

About [1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine

[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine (PubChem CID 117382961) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is [1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
PubChem CID117382961
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine
SMILESCc1ccc(Cl)c(C2(CN)CCCCC2)c1C
InChIInChI=1S/C15H22ClN/c1-11-6-7-13(16)14(12(11)2)15(10-17)8-4-3-5-9-15/h6-7H,3-5,8-10,17H2,1-2H3
InChIKeyABCKLCAHQCACRJ-UHFFFAOYSA-N
XLogP4.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze [1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]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

[1-(3-chloro-2-fluoro-6-methylphenyl)cyclopentyl]methanamine
CID 84801366
2-[1-(aminomethyl)cyclopentyl]-3,4-dimethylphenol
CID 117312988
1-(6-chloro-2,3-dimethylphenyl)cyclohexan-1-amine
CID 117348296
[1-(6-chloro-2-fluoro-3-methylphenyl)cyclopropyl]methanamine
CID 117304722
[1-(3-chloro-4-methylphenyl)cyclohexyl]methanamine
CID 83824553
[1-(3-chloro-2,4-dimethylphenyl)cyclopentyl]methanamine
CID 84799020
2-[1-(aminomethyl)cyclopentyl]-3-chloro-4-methylphenol
CID 84800201
[1-(2-chloro-6-methylsulfanylphenyl)cyclohexyl]methanamine
CID 117428108
[1-(2,6-dichlorophenyl)cyclobutyl]methanamine;hydrochloride
CID 86201221
[1-(6-bromo-2,3-dimethylphenyl)cyclopropyl]methanamine
CID 117388160
[1-[2-chloro-6-(methoxymethyl)phenyl]cyclohexyl]methanamine
CID 117423394
[1-(2,6-difluoro-3-methylphenyl)cyclopentyl]methanamine
CID 117323755

Frequently Asked Questions

What is the IUPAC name of [1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine?
The IUPAC name of [1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine (CID 117382961) is [1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine?
The canonical SMILES for [1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine is Cc1ccc(Cl)c(C2(CN)CCCCC2)c1C.
What is the InChIKey of [1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine?
The InChIKey is ABCKLCAHQCACRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-11-6-7-13(16)14(12(11)2)15(10-17)8-4-3-5-9-15/h6-7H,3-5,8-10,17H2,1-2H3.
What are the key properties of [1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine?
[1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine has a molecular weight of 251.80 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-chloro-2,3-dimethylphenyl)cyclohexyl]methanamine is sourced from PubChem (CID 117382961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).