2-[2-(6-methoxypyridin-3-yl)phenyl]ethan-1-amine

• ChemBase ID: 631323
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: n1c(ccc(c2c(CCN)cccc2)c1)OC
• Canonical SMILES: NCCc1ccccc1c1ccc(nc1)OC
• InChI: InChI=1S/C14H16N2O/c1-17-14-7-6-12(10-16-14)13-5-3-2-4-11(13)8-9-15/h2-7,10H,8-9,15H2,1H3
• InChIKey: UFDZNZBSRWNBNT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(6-methoxypyridin-3-yl)phenyl]ethan-1-amine
• IUPAC Traditional name: 2-[2-(6-methoxypyridin-3-yl)phenyl]ethanamine
• Synonyms: 2-[2-(6-methoxypyridin-3-yl)phenyl]ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.7538215
• LogD (pH = 7.4): -0.014611725
• Log P: 2.2540147
• Molar Refractivity: 69.0424 cm^3
• Polarizability: 28.10104 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: 3
• H Donor: 1
• Log P: 2.42
• LOG S: -1.93
• Polar Surface Area: 48.14 Å^2
• Rotatable Bonds: 4