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

C14H16ClN3 — CID 104591315

IUPAC6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine
SMILESCC(CNc1nc(Cl)ccc1N)c1ccccc1
InChIInChI=1S/C14H16ClN3/c1-10(11-5-3-2-4-6-11)9-17-14-12(16)7-8-13(15)18-14/h2-8,10H,9,16H2,1H3,(H,17,18)
InChIKeyKVWYSZAWYVPDIH-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.53
Rot. Bonds4

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

6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine (PubChem CID 104591315) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine
PubChem CID104591315
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine
SMILESCC(CNc1nc(Cl)ccc1N)c1ccccc1
InChIInChI=1S/C14H16ClN3/c1-10(11-5-3-2-4-6-11)9-17-14-12(16)7-8-13(15)18-14/h2-8,10H,9,16H2,1H3,(H,17,18)
InChIKeyKVWYSZAWYVPDIH-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-(3-phenylbutyl)pyridine-2,3-diamine
CID 115474112
6-methyl-2-N-(2-phenylpropyl)pyridine-2,3-diamine
CID 104591310
6-chloro-2-N-(2-methylbutyl)pyridine-2,3-diamine
CID 115474096
3,5-dichloro-6-hydrazinyl-N-(2-phenylpropyl)pyridin-2-amine
CID 102762562
6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
CID 115474027
2,5-dichloro-N-(2-phenylpropyl)pyrimidin-4-amine
CID 104592094
6-chloro-2-methyl-N-(2-phenylpropyl)pyrimidin-4-amine
CID 113230295
5-methyl-4-N-(2-phenylpropyl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 104592544
5-methyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 113430292
5-amino-6-(2-phenylpropylamino)pyridine-3-carbonitrile
CID 103469065
4-N-(2-phenylpropyl)quinazoline-4,7-diamine
CID 104591254
5-methyl-4-N-(2-phenylpropyl)-2-propylpyrimidine-4,6-diamine
CID 104592591

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine (CID 104591315) is 6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine is CC(CNc1nc(Cl)ccc1N)c1ccccc1.
What is the InChIKey of 6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine?
The InChIKey is KVWYSZAWYVPDIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-10(11-5-3-2-4-6-11)9-17-14-12(16)7-8-13(15)18-14/h2-8,10H,9,16H2,1H3,(H,17,18).
What are the key properties of 6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine?
6-chloro-2-N-(2-phenylpropyl)pyridine-2,3-diamine has a molecular weight of 261.76 g/mol, XLogP of 3.53, 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-phenylpropyl)pyridine-2,3-diamine is sourced from PubChem (CID 104591315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).