4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine

C13H14ClN3 — CID 115468470

IUPAC4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
SMILESNc1ccc(Cl)cc1NCCc1ccccn1
InChIInChI=1S/C13H14ClN3/c14-10-4-5-12(15)13(9-10)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8,15H2
InChIKeyYKSXRWRQPIRSEH-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.97
Rot. Bonds4

About 4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine

4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine (PubChem CID 115468470) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is 4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
PubChem CID115468470
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
SMILESNc1ccc(Cl)cc1NCCc1ccccn1
InChIInChI=1S/C13H14ClN3/c14-10-4-5-12(15)13(9-10)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8,15H2
InChIKeyYKSXRWRQPIRSEH-UHFFFAOYSA-N
XLogP2.97
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-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

4-chloro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 28902081
5-chloro-2-fluoro-N-(2-pyridin-2-ylethyl)aniline
CID 60864899
4-bromo-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 65343240
4-amino-3-(2-pyridin-2-ylethylamino)benzoic acid
CID 82785039
4-amino-3-(2-pyridin-2-ylethylamino)benzamide
CID 55190342
4-chloro-2-N-(2-phenylethyl)benzene-1,2-diamine
CID 115468497
4-bromo-5-fluoro-1-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine
CID 66110681
3-chloro-N-(2-pyridin-2-ylethyl)aniline
CID 5001899
4-chloro-N-(2-pyridin-2-ylethyl)pyridin-2-amine
CID 19432992
4-amino-N-ethyl-3-(2-pyridin-2-ylethylamino)benzamide
CID 63361031
4-N-(2-pyridin-2-ylethyl)pyridine-3,4-diamine
CID 28902053
4-chloro-2-(pyridin-2-ylmethyl)aniline
CID 14005180

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine?
The IUPAC name of 4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine (CID 115468470) is 4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine.
What is the SMILES notation for 4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine?
The canonical SMILES for 4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine is Nc1ccc(Cl)cc1NCCc1ccccn1.
What is the InChIKey of 4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine?
The InChIKey is YKSXRWRQPIRSEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-10-4-5-12(15)13(9-10)17-8-6-11-3-1-2-7-16-11/h1-5,7,9,17H,6,8,15H2.
What are the key properties of 4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine?
4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine has a molecular weight of 247.73 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-N-(2-pyridin-2-ylethyl)benzene-1,2-diamine is sourced from PubChem (CID 115468470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).