(2-phenylethyl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 14735
• Molecular Formular: C14H16N2
• Molecular Mass: 212.29024
• Monoisotopic Mass: 212.13134852
• SMILES: c1(CCNCc2cccnc2)ccccc1
• Canonical SMILES: c1ccc(cc1)CCNCc1cccnc1
• InChI: InChI=1S/C14H16N2/c1-2-5-13(6-3-1)8-10-16-12-14-7-4-9-15-11-14/h1-7,9,11,16H,8,10,12H2
• InChIKey: FVBKSGYPLUPKMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-phenylethyl)(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: (2-phenylethyl)(pyridin-3-ylmethyl)amine
• Synonyms: Phenethyl-pyridin-3-ylmethyl-amine; (2-phenylethyl)(pyridin-3-ylmethyl)amine

Database IDs

• CAS Number: 16562-17-7
• MDL Number: MFCD01468974
• PubChem SID: 160978042
• PubChem CID: 201619

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.8374757
• LogD (pH = 7.4): 0.3091219
• Log P: 2.3270566
• Molar Refractivity: 66.5167 cm^3
• Polarizability: 26.054947 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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%