6-(3,5-dimethoxyphenyl)pyridin-2-amine

• ChemBase ID: 343257
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: n1c(c2cc(cc(c2)OC)OC)cccc1N
• Canonical SMILES: COc1cc(OC)cc(c1)c1cccc(n1)N
• InChI: InChI=1S/C13H14N2O2/c1-16-10-6-9(7-11(8-10)17-2)12-4-3-5-13(14)15-12/h3-8H,1-2H3,(H2,14,15)
• InChIKey: XUNAICLJAZQXGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(3,5-dimethoxyphenyl)pyridin-2-amine
• IUPAC Traditional name: 6-(3,5-dimethoxyphenyl)pyridin-2-amine
• Synonyms: 6-(3,5-dimethoxyphenyl)pyridin-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.614764
• LogD (pH = 7.4): 2.221025
• Log P: 2.2388382
• Molar Refractivity: 66.6056 cm^3
• Polarizability: 26.568018 Å^3
• Polar Surface Area: 57.37 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: 2.5
• LOG S: -3.02
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3