3-methoxy-2-[4-(1-methoxyethyl)phenyl]pyridin-4-amine

• ChemBase ID: 615229
• Molecular Formular: C15H18N2O2
• Molecular Mass: 258.31562
• Monoisotopic Mass: 258.13682783
• SMILES: c1(c(nccc1N)c1ccc(cc1)C(OC)C)OC
• Canonical SMILES: COC(c1ccc(cc1)c1nccc(c1OC)N)C
• InChI: InChI=1S/C15H18N2O2/c1-10(18-2)11-4-6-12(7-5-11)14-15(19-3)13(16)8-9-17-14/h4-10H,1-3H3,(H2,16,17)
• InChIKey: TWTFAXLQCHLUQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methoxy-2-[4-(1-methoxyethyl)phenyl]pyridin-4-amine
• IUPAC Traditional name: 3-methoxy-2-[4-(1-methoxyethyl)phenyl]pyridin-4-amine
• Synonyms: 3-methoxy-2-[4-(1-methoxyethyl)phenyl]pyridin-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.65925276
• LogD (pH = 7.4): 1.2103808
• Log P: 2.0944035
• Molar Refractivity: 75.8148 cm^3
• Polarizability: 30.268791 Å^3
• Polar Surface Area: 57.37 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: 2.31
• LOG S: -3.06
• Polar Surface Area: 57.37 Å^2
• Rotatable Bonds: 4