[4-(6-methoxypyridin-2-yl)phenyl]methanamine

• ChemBase ID: 627193
• Molecular Formular: C13H14N2O
• Molecular Mass: 214.26306
• Monoisotopic Mass: 214.11061308
• SMILES: n1c(c2ccc(cc2)CN)cccc1OC
• Canonical SMILES: COc1cccc(n1)c1ccc(cc1)CN
• InChI: InChI=1S/C13H14N2O/c1-16-13-4-2-3-12(15-13)11-7-5-10(9-14)6-8-11/h2-8H,9,14H2,1H3
• InChIKey: PWKJFFIEAJELPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(6-methoxypyridin-2-yl)phenyl]methanamine
• IUPAC Traditional name: [4-(6-methoxypyridin-2-yl)phenyl]methanamine
• Synonyms: 1-[4-(6-methoxypyridin-2-yl)phenyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6304487
• LogD (pH = 7.4): 0.35775593
• Log P: 2.3512037
• Molar Refractivity: 63.9154 cm^3
• Polarizability: 26.337252 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 1.95
• LOG S: -1.42
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 3