3-(4-methoxypyridin-2-yl)-N,N-dimethylaniline

• ChemBase ID: 378965
• Molecular Formular: C14H16N2O
• Molecular Mass: 228.28964
• Monoisotopic Mass: 228.12626314
• SMILES: c1(c2cc(N(C)C)ccc2)cc(ccn1)OC
• Canonical SMILES: COc1ccnc(c1)c1cccc(c1)N(C)C
• InChI: InChI=1S/C14H16N2O/c1-16(2)12-6-4-5-11(9-12)14-10-13(17-3)7-8-15-14/h4-10H,1-3H3
• InChIKey: NKSXSGJZLWKWDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(4-methoxypyridin-2-yl)-N,N-dimethylaniline
• IUPAC Traditional name: 3-(4-methoxypyridin-2-yl)-N,N-dimethylaniline
• Synonyms: 3-(4-methoxypyridin-2-yl)-N,N-dimethylaniline

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.1734242
• LogD (pH = 7.4): 2.725237
• Log P: 2.7390218
• Molar Refractivity: 69.5571 cm^3
• Polarizability: 27.774101 Å^3
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 2.86
• LOG S: -3.31
• Polar Surface Area: 25.36 Å^2
• Rotatable Bonds: 3