1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine

C15H22ClN — CID 107559783

IUPAC1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine
SMILESCc1ccc(C2(N)CCCC(C)C2C)cc1Cl
InChIInChI=1S/C15H22ClN/c1-10-5-4-8-15(17,12(10)3)13-7-6-11(2)14(16)9-13/h6-7,9-10,12H,4-5,8,17H2,1-3H3
InChIKeyFLIFQCBYTFLJLK-UHFFFAOYSA-N
MW251.80 g/mol
LogP4.26
Rot. Bonds1

About 1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine

1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine (PubChem CID 107559783) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine
PubChem CID107559783
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine
SMILESCc1ccc(C2(N)CCCC(C)C2C)cc1Cl
InChIInChI=1S/C15H22ClN/c1-10-5-4-8-15(17,12(10)3)13-7-6-11(2)14(16)9-13/h6-7,9-10,12H,4-5,8,17H2,1-3H3
InChIKeyFLIFQCBYTFLJLK-UHFFFAOYSA-N
XLogP4.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine (CID 107559783) is 1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine is Cc1ccc(C2(N)CCCC(C)C2C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine?
The InChIKey is FLIFQCBYTFLJLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c1-10-5-4-8-15(17,12(10)3)13-7-6-11(2)14(16)9-13/h6-7,9-10,12H,4-5,8,17H2,1-3H3.
What are the key properties of 1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine?
1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine has a molecular weight of 251.80 g/mol, XLogP of 4.26, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-2,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 107559783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).