3-methoxy-2-[4-(2-methoxyethoxy)phenyl]pyridin-4-amine

• ChemBase ID: 576203
• Molecular Formular: C15H18N2O3
• Molecular Mass: 274.31502
• Monoisotopic Mass: 274.13174245
• SMILES: c1(c(nccc1N)c1ccc(cc1)OCCOC)OC
• Canonical SMILES: COCCOc1ccc(cc1)c1nccc(c1OC)N
• InChI: InChI=1S/C15H18N2O3/c1-18-9-10-20-12-5-3-11(4-6-12)14-15(19-2)13(16)7-8-17-14/h3-8H,9-10H2,1-2H3,(H2,16,17)
• InChIKey: KWQARLKAXXPWAI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]pyridin-4-amine
• IUPAC Traditional name: 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]pyridin-4-amine
• Synonyms: 3-methoxy-2-[4-(2-methoxyethoxy)phenyl]pyridin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 0.15890327
• LogD (pH = 7.4): 0.64648676
• Log P: 1.5974051
• Molar Refractivity: 77.3356 cm^3
• Polarizability: 30.928104 Å^3
• Polar Surface Area: 66.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 1.71
• LOG S: -2.66
• Polar Surface Area: 66.6 Å^2
• Rotatable Bonds: 6