3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine

C15H23ClN2 — CID 43739757

IUPAC3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1c(Cl)cccc1NCC1CCCCC1
InChIInChI=1S/C15H23ClN2/c1-18(2)15-13(16)9-6-10-14(15)17-11-12-7-4-3-5-8-12/h6,9-10,12,17H,3-5,7-8,11H2,1-2H3
InChIKeyWPQMDSDTESDMAI-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.40
Rot. Bonds4

About 3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine

3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 43739757) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID43739757
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCN(C)c1c(Cl)cccc1NCC1CCCCC1
InChIInChI=1S/C15H23ClN2/c1-18(2)15-13(16)9-6-10-14(15)17-11-12-7-4-3-5-8-12/h6,9-10,12,17H,3-5,7-8,11H2,1-2H3
InChIKeyWPQMDSDTESDMAI-UHFFFAOYSA-N
XLogP4.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-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

2-chloro-N-(cyclopentylmethyl)aniline
CID 61344994
3-chloro-1-N-(cyclohexylmethyl)benzene-1,2-diamine
CID 104834104
3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
CID 104834099
3-chloro-1-N-(2,2-dimethylpropyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 61326393
2-chloro-6-(cyclopentylmethylamino)benzoic acid
CID 62710285
3-chloro-2-N,2-N-dimethyl-1-N-(4-propylcycloheptyl)benzene-1,2-diamine
CID 65086873
N-(cyclohexylmethyl)-2-pyrrolidin-1-ylaniline
CID 43229105
3-chloro-2-N,2-N-dimethyl-1-N-pentylbenzene-1,2-diamine
CID 43739667
3-chloro-1-N-(2-ethylbutyl)-2-N,2-N-dimethylbenzene-1,2-diamine
CID 43739756
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376208
3-chloro-2-N,2-N-dimethyl-1-N-(3-methylsulfanylpropyl)benzene-1,2-diamine
CID 43739685
3-chloro-2-N,2-N-dimethyl-1-N-(oxan-4-yl)benzene-1,2-diamine
CID 43739695

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 43739757) is 3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine is CN(C)c1c(Cl)cccc1NCC1CCCCC1.
What is the InChIKey of 3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is WPQMDSDTESDMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-18(2)15-13(16)9-6-10-14(15)17-11-12-7-4-3-5-8-12/h6,9-10,12,17H,3-5,7-8,11H2,1-2H3.
What are the key properties of 3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 266.82 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(cyclohexylmethyl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 43739757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).