(2-phenylethyl)(pyridin-4-ylmethyl)amine

• ChemBase ID: 264470
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: n1ccc(CNCCc2ccccc2)cc1
• Canonical SMILES: c1ccc(cc1)CCNCc1ccncc1
• InChI: InChI=1S/C14H16N2/c1-2-4-13(5-3-1)6-11-16-12-14-7-9-15-10-8-14/h1-5,7-10,16H,6,11-12H2
• InChIKey: ZDYQMRLEDAVDMT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylethyl)(pyridin-4-ylmethyl)amine
• IUPAC Traditional name: (2-phenylethyl)(pyridin-4-ylmethyl)amine
• Synonyms: (2-phenylethyl)(pyridin-4-ylmethyl)amine

Database IDs

• MDL Number: MFCD01135003
• PubChem SID: 164320380
• PubChem CID: 3154979

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8518239
• LogD (pH = 7.4): 0.21605958
• Log P: 2.3270566
• Molar Refractivity: 66.5167 cm^3
• Polarizability: 26.05468 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.11

Product Information

• Purity: 95%