2-{[(4-methylpyridin-2-yl)amino]methyl}phenol

• ChemBase ID: 312257
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: c1(nccc(c1)C)NCc1c(O)cccc1
• Canonical SMILES: Cc1ccnc(c1)NCc1ccccc1O
• InChI: InChI=1S/C13H14N2O/c1-10-6-7-14-13(8-10)15-9-11-4-2-3-5-12(11)16/h2-8,16H,9H2,1H3,(H,14,15)
• InChIKey: VQKDOWCHFDCYAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(4-methylpyridin-2-yl)amino]methyl}phenol
• IUPAC Traditional name: 2-{[(4-methylpyridin-2-yl)amino]methyl}phenol
• Synonyms: 2-{[(4-methyl-2-pyridinyl)amino]methyl}phenol

Database IDs

• CAS Number: 104768-35-6
• MDL Number: MFCD00087515

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.4099467
• LogD (pH = 7.4): 2.4736788
• Log P: 2.642752
• Molar Refractivity: 66.0431 cm^3
• Polarizability: 24.374304 Å^3
• Polar Surface Area: 45.15 Å^2