benzyl[1-(pyridin-2-yl)ethyl]amine

• ChemBase ID: 271840
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: N(C(c1ncccc1)C)Cc1ccccc1
• Canonical SMILES: CC(c1ccccn1)NCc1ccccc1
• InChI: InChI=1S/C14H16N2/c1-12(14-9-5-6-10-15-14)16-11-13-7-3-2-4-8-13/h2-10,12,16H,11H2,1H3
• InChIKey: XYRJHZVSLCNHPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[1-(pyridin-2-yl)ethyl]amine
• IUPAC Traditional name: benzyl[1-(pyridin-2-yl)ethyl]amine
• Synonyms: benzyl[1-(pyridin-2-yl)ethyl]amine

Database IDs

• MDL Number: MFCD11140748
• PubChem SID: 164327750
• PubChem CID: 21592198

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.26346615
• LogD (pH = 7.4): 1.9957188
• Log P: 2.6886315
• Molar Refractivity: 65.7334 cm^3
• Polarizability: 26.133734 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.48

Product Information

• Purity: 95%