3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine

C16H25ClN2 — CID 64750815

IUPAC3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCC1CC(C)CC(Nc2cccc(Cl)c2N(C)C)C1
InChIInChI=1S/C16H25ClN2/c1-11-8-12(2)10-13(9-11)18-15-7-5-6-14(17)16(15)19(3)4/h5-7,11-13,18H,8-10H2,1-4H3
InChIKeyBGVOPRSYDXFHOR-UHFFFAOYSA-N
MW280.84 g/mol
LogP4.64
Rot. Bonds3

About 3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine

3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine (PubChem CID 64750815) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
PubChem CID64750815
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine
SMILESCC1CC(C)CC(Nc2cccc(Cl)c2N(C)C)C1
InChIInChI=1S/C16H25ClN2/c1-11-8-12(2)10-13(9-11)18-15-7-5-6-14(17)16(15)19(3)4/h5-7,11-13,18H,8-10H2,1-4H3
InChIKeyBGVOPRSYDXFHOR-UHFFFAOYSA-N
XLogP4.64
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-chloro-1-N-(3,5-dimethylcyclohexyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The IUPAC name of 3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine (CID 64750815) is 3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine.
What is the SMILES notation for 3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The canonical SMILES for 3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine is CC1CC(C)CC(Nc2cccc(Cl)c2N(C)C)C1.
What is the InChIKey of 3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
The InChIKey is BGVOPRSYDXFHOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-11-8-12(2)10-13(9-11)18-15-7-5-6-14(17)16(15)19(3)4/h5-7,11-13,18H,8-10H2,1-4H3.
What are the key properties of 3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine?
3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine has a molecular weight of 280.84 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-N-(3,5-dimethylcyclohexyl)-2-N,2-N-dimethylbenzene-1,2-diamine is sourced from PubChem (CID 64750815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).