2-{[(6-methylpyridin-2-yl)amino]methyl}phenol

• ChemBase ID: 312451
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: n1c(NCc2c(O)cccc2)cccc1C
• Canonical SMILES: Cc1cccc(n1)NCc1ccccc1O
• InChI: InChI=1S/C13H14N2O/c1-10-5-4-8-13(15-10)14-9-11-6-2-3-7-12(11)16/h2-8,16H,9H2,1H3,(H,14,15)
• InChIKey: AEENCSHKTVTKMV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(6-methylpyridin-2-yl)amino]methyl}phenol
• IUPAC Traditional name: 2-{[(6-methylpyridin-2-yl)amino]methyl}phenol
• Synonyms: 2-{[(6-methyl-2-pyridinyl)amino]methyl}phenol

Database IDs

• CAS Number: 104768-37-8
• MDL Number: MFCD00023434

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.76408607
• LogD (pH = 7.4): 2.091178
• Log P: 2.2617388
• Molar Refractivity: 65.5934 cm^3
• Polarizability: 24.376087 Å^3
• Polar Surface Area: 45.15 Å^2