6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine

C15H18ClN3 — CID 115474112

IUPAC6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine
SMILESCC(CCNc1nc(Cl)ccc1N)c1ccccc1
InChIInChI=1S/C15H18ClN3/c1-11(12-5-3-2-4-6-12)9-10-18-15-13(17)7-8-14(16)19-15/h2-8,11H,9-10,17H2,1H3,(H,18,19)
InChIKeyRGVRCUABVIICBX-UHFFFAOYSA-N
MW275.78 g/mol
LogP3.92
Rot. Bonds5

About 6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine

6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine (PubChem CID 115474112) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine
PubChem CID115474112
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine
SMILESCC(CCNc1nc(Cl)ccc1N)c1ccccc1
InChIInChI=1S/C15H18ClN3/c1-11(12-5-3-2-4-6-12)9-10-18-15-13(17)7-8-14(16)19-15/h2-8,11H,9-10,17H2,1H3,(H,18,19)
InChIKeyRGVRCUABVIICBX-UHFFFAOYSA-N
XLogP3.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 53.92
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-(3-phenylbutyl)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-phenylpropyl)pyridine-2,3-diamine
CID 104591315
3,5-dichloro-6-hydrazinyl-N-(3-phenylbutyl)pyridin-2-amine
CID 102762003
4-N-(3-phenylbutyl)benzene-1,2,4-triamine
CID 106750765
3-nitro-2-N-(3-phenylbutyl)pyridine-2,6-diamine
CID 80807970
6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 24903980
6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
CID 115474192
6-methyl-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591310
6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
CID 115474027
6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine
CID 115474096
2-chloro-5-methyl-4-N-(3-phenylbutyl)benzene-1,4-diamine
CID 115554911
2,6-dichloro-N-(3-phenylbutyl)aniline
CID 65469702
N-(3-phenylbutyl)phthalazin-1-amine
CID 62986988

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine (CID 115474112) is 6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine is CC(CCNc1nc(Cl)ccc1N)c1ccccc1.
What is the InChIKey of 6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine?
The InChIKey is RGVRCUABVIICBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-11(12-5-3-2-4-6-12)9-10-18-15-13(17)7-8-14(16)19-15/h2-8,11H,9-10,17H2,1H3,(H,18,19).
What are the key properties of 6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine?
6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine has a molecular weight of 275.78 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine is sourced from PubChem (CID 115474112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).