N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine

C16H24ClN — CID 63994085

IUPACN-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2cccc(Cl)c2)C(C)C1
InChIInChI=1S/C16H24ClN/c1-11-7-8-16(12(2)9-11)18-13(3)14-5-4-6-15(17)10-14/h4-6,10-13,16,18H,7-9H2,1-3H3
InChIKeyUPPVZALDUPUMJX-UHFFFAOYSA-N
MW265.83 g/mol
LogP4.82
Rot. Bonds3

About N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine

N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine (PubChem CID 63994085) has the molecular formula C16H24ClN and a molecular weight of 265.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
PubChem CID63994085
Molecular FormulaC16H24ClN
Molecular Weight265.83 g/mol
Exact Mass265.16
IUPAC NameN-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
SMILESCC1CCC(NC(C)c2cccc(Cl)c2)C(C)C1
InChIInChI=1S/C16H24ClN/c1-11-7-8-16(12(2)9-11)18-13(3)14-5-4-6-15(17)10-14/h4-6,10-13,16,18H,7-9H2,1-3H3
InChIKeyUPPVZALDUPUMJX-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-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-(3-chlorophenyl)ethyl]-2,5-dimethylcyclohexan-1-amine
CID 64774146
N-[1-(3-chlorophenyl)ethyl]-2-methylcyclopentan-1-amine
CID 63277317
N-[(1S)-1-(3-methoxyphenyl)ethyl]-2,4-dimethylcyclohexan-1-amine
CID 81375875
2,4-dimethyl-N-[1-(3-propan-2-yloxyphenyl)ethyl]cyclohexan-1-amine
CID 64762616
N-[(1S)-1-(3-chlorophenyl)ethyl]-2,3-dimethylcyclohexan-1-amine
CID 81366645
N-[1-(3-chlorophenyl)ethyl]-3-ethyl-2-methylcyclopentan-1-amine
CID 64921325
2,4-dimethyl-N-[(1R)-1-(4-methylphenyl)ethyl]cyclohexan-1-amine
CID 81349071
2-[1-(3-chlorophenyl)ethylamino]cyclopentan-1-ol
CID 60713491
trans-(1S,2S)-2-[[(1S)-1-(3-chlorophenyl)ethyl]amino]cyclohexan-1-ol
CID 93419082
trans-(1S,2S)-2-[1-(3-chlorophenyl)ethylamino]cyclohexan-1-ol
CID 104956148
N-[1-(3-chlorophenyl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
CID 43392322
N-[1-(3-chlorophenyl)propyl]-2,5-dimethylcyclohexan-1-amine
CID 64762199

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The IUPAC name of N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine (CID 63994085) is N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine is CC1CCC(NC(C)c2cccc(Cl)c2)C(C)C1.
What is the InChIKey of N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
The InChIKey is UPPVZALDUPUMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN/c1-11-7-8-16(12(2)9-11)18-13(3)14-5-4-6-15(17)10-14/h4-6,10-13,16,18H,7-9H2,1-3H3.
What are the key properties of N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine?
N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine has a molecular weight of 265.83 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 63994085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).