4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine

C14H21ClN2 — CID 62313851

IUPAC4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
SMILESCC(NC1CCC(N)CC1)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-10(11-3-2-4-12(15)9-11)17-14-7-5-13(16)6-8-14/h2-4,9-10,13-14,17H,5-8,16H2,1H3
InChIKeyAFDMJMNDDABDLP-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.26
Rot. Bonds3

About 4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine

4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine (PubChem CID 62313851) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
PubChem CID62313851
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine
SMILESCC(NC1CCC(N)CC1)c1cccc(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-10(11-3-2-4-12(15)9-11)17-14-7-5-13(16)6-8-14/h2-4,9-10,13-14,17H,5-8,16H2,1H3
InChIKeyAFDMJMNDDABDLP-UHFFFAOYSA-N
XLogP3.26
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine 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-[(1S)-1-(3-chlorophenyl)ethyl]-4-methoxycyclohexan-1-amine
CID 113414414
4-tert-butyl-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexan-1-amine
CID 29045070
4-N-[1-(3-chlorophenyl)propyl]cyclohexane-1,4-diamine
CID 62314574
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-ethylcycloheptan-1-amine
CID 81365963
4-tert-butyl-N-[1-(3-chlorophenyl)ethyl]cycloheptan-1-amine
CID 65089853
N-[(1S)-1-(3-chlorophenyl)ethyl]-4-propylcycloheptan-1-amine
CID 81365897
4-amino-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 54913905
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)-3-methylbutanamide
CID 119476760
N-[(1R)-1-(3-chlorophenyl)ethyl]-1-methylazepan-4-amine
CID 81366828
4-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]cyclohexane-1-carboxamide
CID 81371570
N-(4-aminocyclohexyl)-2-(3-chlorophenyl)propanamide;hydrochloride
CID 119478530
N-[(1S)-1-(3-chlorophenyl)ethyl]-3-cyclopropylcyclohexan-1-amine
CID 81366711

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine (CID 62313851) is 4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine is CC(NC1CCC(N)CC1)c1cccc(Cl)c1.
What is the InChIKey of 4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine?
The InChIKey is AFDMJMNDDABDLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-10(11-3-2-4-12(15)9-11)17-14-7-5-13(16)6-8-14/h2-4,9-10,13-14,17H,5-8,16H2,1H3.
What are the key properties of 4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine?
4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine has a molecular weight of 252.79 g/mol, XLogP of 3.26, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(3-chlorophenyl)ethyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 62313851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).