N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine

C16H24ClN — CID 43677618

IUPACN-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(C)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN/c1-12-3-9-16(10-4-12)18-13(2)11-14-5-7-15(17)8-6-14/h5-8,12-13,16,18H,3-4,9-11H2,1-2H3
InChIKeyKAWARISURKNPLT-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.44
Rot. Bonds4

About N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine

N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine (PubChem CID 43677618) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
PubChem CID43677618
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(NC(C)Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C16H24ClN/c1-12-3-9-16(10-4-12)18-13(2)11-14-5-7-15(17)8-6-14/h5-8,12-13,16,18H,3-4,9-11H2,1-2H3
InChIKeyKAWARISURKNPLT-UHFFFAOYSA-N
XLogP4.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.83
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(4-chlorophenyl)propan-2-yl]-4-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

N-[1-(4-chlorophenyl)propan-2-yl]-4-propan-2-ylcyclohexan-1-amine
CID 63428446
N-[1-(4-chlorophenyl)propan-2-yl]cycloheptanamine
CID 43677619
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopropanamine
CID 82262582
N-[1-(4-chlorophenyl)propan-2-yl]-5-methylthiolan-3-amine
CID 79942170
N-[1-(2-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine
CID 43677397
N-[1-(4-propan-2-ylphenyl)propan-2-yl]cyclopentanamine
CID 82262639
N-[1-(4-propan-2-yloxyphenyl)propan-2-yl]cyclopropanamine
CID 82262595
1-(4-chlorophenyl)-N-(1-cyclobutylethyl)propan-2-amine
CID 103779090
N-[1-(4-chlorophenyl)propan-2-yl]-2,2-diethyloxan-4-amine
CID 103911511
4-[2-(cyclobutylamino)propyl]phenol
CID 115494316
N-[1-[4-(4-methoxyphenyl)phenyl]propan-2-yl]cyclopropanamine
CID 82262623
4-N-[1-(4-fluorophenyl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741782

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine (CID 43677618) is N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine is CC1CCC(NC(C)Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine?
The InChIKey is KAWARISURKNPLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-12-3-9-16(10-4-12)18-13(2)11-14-5-7-15(17)8-6-14/h5-8,12-13,16,18H,3-4,9-11H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine?
N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)propan-2-yl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 43677618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).