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

• ChemBase ID: 311967
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: c1(c(ccc(c1)C)O)CNc1ncccc1
• Canonical SMILES: Cc1ccc(c(c1)CNc1ccccn1)O
• InChI: InChI=1S/C13H14N2O/c1-10-5-6-12(16)11(8-10)9-15-13-4-2-3-7-14-13/h2-8,16H,9H2,1H3,(H,14,15)
• InChIKey: XXXXITSFOHPNRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-methyl-2-{[(pyridin-2-yl)amino]methyl}phenol
• IUPAC Traditional name: 4-methyl-2-[(pyridin-2-ylamino)methyl]phenol
• Synonyms: 4-methyl-2-[(2-pyridinylamino)methyl]phenol

Database IDs

• CAS Number: 632329-79-4
• MDL Number: MFCD00454806

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.7770376
• LogD (pH = 7.4): 2.6935852
• Log P: 2.7571383
• Molar Refractivity: 66.0431 cm^3
• Polarizability: 24.374828 Å^3
• Polar Surface Area: 45.15 Å^2