methyl[(5-phenylpyridin-2-yl)methyl]amine

• ChemBase ID: 90310
• Molecular Formular: C13H14N2
• Molecular Mass: 198.26366
• Monoisotopic Mass: 198.11569846
• SMILES: n1c(ccc(c1)c1ccccc1)CNC
• Canonical SMILES: CNCc1ccc(cn1)c1ccccc1
• InChI: InChI=1S/C13H14N2/c1-14-10-13-8-7-12(9-15-13)11-5-3-2-4-6-11/h2-9,14H,10H2,1H3
• InChIKey: HHOWXRCPAWWJPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(5-phenylpyridin-2-yl)methyl]amine
• IUPAC Traditional name: methyl[(5-phenylpyridin-2-yl)methyl]amine
• Synonyms: N-methyl(5-phenylpyrid-2-yl)methylamine; N-Methyl-(5-phenylpyridin-2-yl)methylamine; 2-[Methyl(aminomethyl)]-5-phenylpyridine 97%

Database IDs

• CAS Number: 892502-02-2
• MDL Number: MFCD10700051
• PubChem SID: 162077130
• PubChem CID: 26343606

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.7031066
• LogD (pH = 7.4): 0.99294543
• Log P: 2.0426195
• Molar Refractivity: 61.7631 cm^3
• Polarizability: 25.732084 Å^3
• Polar Surface Area: 24.92 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 90%