4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine

C12H16Cl2N2 — CID 79724276

IUPAC4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H16Cl2N2/c13-11-6-5-10(7-12(11)14)16-9-3-1-8(15)2-4-9/h5-9,16H,1-4,15H2
InChIKeyJBZZITUDCSISRY-UHFFFAOYSA-N
MW259.18 g/mol
LogP3.68
Rot. Bonds2

About 4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine

4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine (PubChem CID 79724276) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is 4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
PubChem CID79724276
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC Name4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ccc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C12H16Cl2N2/c13-11-6-5-10(7-12(11)14)16-9-3-1-8(15)2-4-9/h5-9,16H,1-4,15H2
InChIKeyJBZZITUDCSISRY-UHFFFAOYSA-N
XLogP3.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-(3,4-dichlorophenyl)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-[4-[(4-aminocyclohexyl)amino]-2-chlorophenyl]acetamide
CID 79723981
4-(3,4-dichloroanilino)cyclohexane-1-carboxylic acid
CID 112753567
N-(3,4-dichlorophenyl)-4-methylcycloheptan-1-amine
CID 65080891
4-N-(3,5-dichlorophenyl)cyclohexane-1,4-diamine
CID 79724077
4-N-quinoxalin-6-ylcyclohexane-1,4-diamine
CID 79731132
4-[(4-aminocyclohexyl)amino]phenol
CID 79730932
4-N-(3-iodo-4-methylphenyl)cyclohexane-1,4-diamine
CID 79731241
4-N-[(3,4-dichlorophenyl)methyl]cyclohexane-1,4-diamine
CID 62313670
4-N-(5-bromo-2-chlorophenyl)cyclohexane-1,4-diamine
CID 79741139
5-[(4-aminocyclohexyl)amino]-2-methylphenol
CID 107700897
5-[(4-aminocyclohexyl)amino]-1,3-dihydrobenzimidazol-2-one
CID 79725031
N-(3,4-dichlorophenyl)-1-prop-2-ynylpiperidin-4-amine
CID 43760832

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine (CID 79724276) is 4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine is NC1CCC(Nc2ccc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine?
The InChIKey is JBZZITUDCSISRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-11-6-5-10(7-12(11)14)16-9-3-1-8(15)2-4-9/h5-9,16H,1-4,15H2.
What are the key properties of 4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine?
4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine has a molecular weight of 259.18 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,4-dichlorophenyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79724276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).