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

• ChemBase ID: 596728
• Molecular Formular: C13H14N2O2
• Molecular Mass: 230.26246
• Monoisotopic Mass: 230.1055277
• SMILES: c1(c2cc(N)cnc2)c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(cc1c1cncc(c1)N)OC
• InChI: InChI=1S/C13H14N2O2/c1-16-11-3-4-13(17-2)12(6-11)9-5-10(14)8-15-7-9/h3-8H,14H2,1-2H3
• InChIKey: OVFSEXDIZKFRNX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.1165257
• LogD (pH = 7.4): 1.2563238
• Log P: 1.2585303
• Molar Refractivity: 66.6641 cm^3
• Polarizability: 26.56869 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: 1.73
• LOG S: -2.36
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 3