3-phenyl-2-(pyridin-4-yl)propan-1-amine

• ChemBase ID: 274553
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: C(Cc1ccccc1)(c1ccncc1)CN
• Canonical SMILES: NCC(c1ccncc1)Cc1ccccc1
• InChI: InChI=1S/C14H16N2/c15-11-14(13-6-8-16-9-7-13)10-12-4-2-1-3-5-12/h1-9,14H,10-11,15H2
• InChIKey: IZWPYLBTSGVVON-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-phenyl-2-(pyridin-4-yl)propan-1-amine
• IUPAC Traditional name: 3-phenyl-2-(pyridin-4-yl)propan-1-amine
• Synonyms: 3-phenyl-2-(pyridin-4-yl)propan-1-amine

Database IDs

• MDL Number: MFCD18838876
• PubChem SID: 164330463
• PubChem CID: 54593242

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.1106064
• LogD (pH = 7.4): -0.15094033
• Log P: 2.1133485
• Molar Refractivity: 66.2971 cm^3
• Polarizability: 25.974936 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%