6-[3-(benzyloxy)phenyl]pyridin-2-amine

• ChemBase ID: 733338
• Molecular Formular: C18H16N2O
• Molecular Mass: 276.33244
• Monoisotopic Mass: 276.12626314
• SMILES: n1c(c2cc(OCc3ccccc3)ccc2)cccc1N
• Canonical SMILES: Nc1cccc(n1)c1cccc(c1)OCc1ccccc1
• InChI: InChI=1S/C18H16N2O/c19-18-11-5-10-17(20-18)15-8-4-9-16(12-15)21-13-14-6-2-1-3-7-14/h1-12H,13H2,(H2,19,20)
• InChIKey: WNVAGUXVKNZLLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-[3-(benzyloxy)phenyl]pyridin-2-amine
• IUPAC Traditional name: 6-[3-(benzyloxy)phenyl]pyridin-2-amine
• Synonyms: 6-[3-(benzyloxy)phenyl]pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.4265554
• LogD (pH = 7.4): 4.0989804
• Log P: 4.1209826
• Molar Refractivity: 84.755 cm^3
• Polarizability: 33.720272 Å^3
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 4.21
• LOG S: -4.81
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4