2-(2,3,4-trimethoxyphenyl)pyridin-4-amine

• ChemBase ID: 418548
• Molecular Formular: C14H16N2O3
• Molecular Mass: 260.28844
• Monoisotopic Mass: 260.11609238
• SMILES: c1(c(c(c(cc1)OC)OC)OC)c1cc(N)ccn1
• Canonical SMILES: COc1c(ccc(c1OC)OC)c1nccc(c1)N
• InChI: InChI=1S/C14H16N2O3/c1-17-12-5-4-10(13(18-2)14(12)19-3)11-8-9(15)6-7-16-11/h4-8H,1-3H3,(H2,15,16)
• InChIKey: QCSBWJYRIFPRBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,3,4-trimethoxyphenyl)pyridin-4-amine
• IUPAC Traditional name: 2-(2,3,4-trimethoxyphenyl)pyridin-4-amine
• Synonyms: 2-(2,3,4-trimethoxyphenyl)pyridin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.123874545
• LogD (pH = 7.4): 1.1097834
• Log P: 1.4867094
• Molar Refractivity: 72.7553 cm^3
• Polarizability: 29.071293 Å^3
• Polar Surface Area: 66.6 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.27
• LOG S: -2.18
• Polar Surface Area: 66.6 Å^2
• Rotatable Bonds: 4