3-phenyl-2-(pyridin-2-yl)propan-1-amine

• ChemBase ID: 274519
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: C(c1ncccc1)(Cc1ccccc1)CN
• Canonical SMILES: NCC(c1ccccn1)Cc1ccccc1
• InChI: InChI=1S/C14H16N2/c15-11-13(14-8-4-5-9-16-14)10-12-6-2-1-3-7-12/h1-9,13H,10-11,15H2
• InChIKey: JLFXXFICMQGLRU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-2-(pyridin-2-yl)propan-1-amine
• IUPAC Traditional name: 3-phenyl-2-(pyridin-2-yl)propan-1-amine
• Synonyms: 3-phenyl-2-(pyridin-2-yl)propan-1-amine

Database IDs

• MDL Number: MFCD16308420
• PubChem SID: 164330429
• PubChem CID: 54593212

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.68487346
• LogD (pH = 7.4): 0.17426577
• Log P: 2.3211854
• Molar Refractivity: 65.8222 cm^3
• Polarizability: 25.976933 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.753

Product Information

• Purity: 95%