methyl[phenyl(pyridin-2-yl)methyl]amine

• ChemBase ID: 259594
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: C(c1ncccc1)(c1ccccc1)NC
• Canonical SMILES: CNC(c1ccccn1)c1ccccc1
• InChI: InChI=1S/C13H14N2/c1-14-13(11-7-3-2-4-8-11)12-9-5-6-10-15-12/h2-10,13-14H,1H3
• InChIKey: IEYJNWLSRVHHMZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[phenyl(pyridin-2-yl)methyl]amine
• IUPAC Traditional name: methyl[phenyl(pyridin-2-yl)methyl]amine
• Synonyms: methyl[phenyl(pyridin-2-yl)methyl]amine

Database IDs

• MDL Number: MFCD09046509
• PubChem SID: 164315504
• PubChem CID: 16774134

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.0015139969
• LogD (pH = 7.4): 1.7218516
• Log P: 2.3318236
• Molar Refractivity: 60.9848 cm^3
• Polarizability: 24.284695 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.361

Product Information

• Purity: 95%