N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine

C16H24ClN — CID 106816870

IUPACN-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(CNC2CC(C)CC(C)C2)cc1Cl
InChIInChI=1S/C16H24ClN/c1-11-6-12(2)8-15(7-11)18-10-14-5-4-13(3)16(17)9-14/h4-5,9,11-12,15,18H,6-8,10H2,1-3H3
InChIKeyRODSQHSCAIMWJF-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.56
Rot. Bonds3

About N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine

N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine (PubChem CID 106816870) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
PubChem CID106816870
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
SMILESCc1ccc(CNC2CC(C)CC(C)C2)cc1Cl
InChIInChI=1S/C16H24ClN/c1-11-6-12(2)8-15(7-11)18-10-14-5-4-13(3)16(17)9-14/h4-5,9,11-12,15,18H,6-8,10H2,1-3H3
InChIKeyRODSQHSCAIMWJF-UHFFFAOYSA-N
XLogP4.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-chloro-4-methylphenyl)methyl]cyclohexanamine
CID 63195272
N-[(3-bromo-4-chlorophenyl)methyl]-3-methylcyclobutan-1-amine
CID 115908020
N-[(3-chloro-4-methylphenyl)methyl]-1-methylpiperidin-4-amine
CID 106816236
3,5-dimethyl-N-[(3-methylphenyl)methyl]cyclohexan-1-amine
CID 64724021
N-[(3-chloro-4-methylphenyl)methyl]-3-methylsulfanylcyclohexan-1-amine
CID 114122241
N-[(2,5-dimethylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115671674
N-[(3-chloro-4-methylphenyl)methyl]-1-methylsulfonylpiperidin-4-amine
CID 106816263
N-[(2,5-dichlorophenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 65317887
N-[(4-tert-butylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 64734413
N-[(5-fluoro-2-methylphenyl)methyl]-3-methylcyclobutan-1-amine
CID 115968236
[4-[(3-chloro-4-methylphenyl)methylamino]piperidin-1-yl]-cyclopropylmethanone
CID 106816549
2-methyl-5-[[(3-methylcyclopentyl)amino]methyl]aniline
CID 114547247

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine (CID 106816870) is N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine is Cc1ccc(CNC2CC(C)CC(C)C2)cc1Cl.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
The InChIKey is RODSQHSCAIMWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11-6-12(2)8-15(7-11)18-10-14-5-4-13(3)16(17)9-14/h4-5,9,11-12,15,18H,6-8,10H2,1-3H3.
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine?
N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 106816870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).