methyl[(6-phenylpyridin-3-yl)methyl]amine

• ChemBase ID: 101128
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: n1c(c2ccccc2)ccc(c1)CNC
• Canonical SMILES: CNCc1ccc(nc1)c1ccccc1
• InChI: InChI=1S/C13H14N2/c1-14-9-11-7-8-13(15-10-11)12-5-3-2-4-6-12/h2-8,10,14H,9H2,1H3
• InChIKey: OLZSHISXLYLLBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(6-phenylpyridin-3-yl)methyl]amine
• IUPAC Traditional name: methyl[(6-phenylpyridin-3-yl)methyl]amine
• Synonyms: N-methyl(6-phenylpyrid-3-yl)methylamine

Database IDs

• CAS Number: 879896-40-9
• MDL Number: MFCD09064942
• PubChem SID: 162087886
• PubChem CID: 24229465

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7712055
• LogD (pH = 7.4): 0.5349394
• Log P: 2.346998
• Molar Refractivity: 61.9133 cm^3
• Polarizability: 25.733067 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%