6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine

C14H16ClN3 — CID 115474071

IUPAC6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
SMILESCc1cccc(CCNc2nc(Cl)ccc2N)c1
InChIInChI=1S/C14H16ClN3/c1-10-3-2-4-11(9-10)7-8-17-14-12(16)5-6-13(15)18-14/h2-6,9H,7-8,16H2,1H3,(H,17,18)
InChIKeyPQYDWBNKDQYPBF-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.28
Rot. Bonds4

About 6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine

6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine (PubChem CID 115474071) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
PubChem CID115474071
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
SMILESCc1cccc(CCNc2nc(Cl)ccc2N)c1
InChIInChI=1S/C14H16ClN3/c1-10-3-2-4-11(9-10)7-8-17-14-12(16)5-6-13(15)18-14/h2-6,9H,7-8,16H2,1H3,(H,17,18)
InChIKeyPQYDWBNKDQYPBF-UHFFFAOYSA-N
XLogP3.28
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-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

6-chloro-2-N-[2-(3-methoxyphenyl)ethyl]pyridine-2,3-diamine
CID 107845206
6-chloro-2-[2-(3-methylphenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537357
methyl 5-amino-6-[2-(3-methylphenyl)ethylamino]pyridine-2-carboxylate
CID 114406367
2,5-dichloro-N-[2-(3-methylphenyl)ethyl]pyrimidin-4-amine
CID 79631877
5-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80826733
4-N-[2-(3-methylphenyl)ethyl]benzene-1,2,4-triamine
CID 106750720
6-N-[2-(3-methylphenyl)ethyl]pyridine-2,6-diamine
CID 80647053
5-N-[2-(3-methylphenyl)ethyl]pyridine-2,5-diamine
CID 62314086
5-methyl-4-N-[2-(3-methylphenyl)ethyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985117
[3-[[(3-amino-6-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231936
6-methyl-4-N-[2-(3-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 78989212
5-bromo-4-N-[2-(3-methylphenyl)ethyl]pyridine-3,4-diamine
CID 103518035

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine (CID 115474071) is 6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine is Cc1cccc(CCNc2nc(Cl)ccc2N)c1.
What is the InChIKey of 6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine?
The InChIKey is PQYDWBNKDQYPBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10-3-2-4-11(9-10)7-8-17-14-12(16)5-6-13(15)18-14/h2-6,9H,7-8,16H2,1H3,(H,17,18).
What are the key properties of 6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine?
6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine has a molecular weight of 261.76 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 115474071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).