(5-{3-[1-(dimethylamino)ethyl]phenyl}-2-methoxyphenyl)methanol

• ChemBase ID: 611790
• Molecular Formular: C18H23NO2
• Molecular Mass: 285.38072
• Monoisotopic Mass: 285.17287898
• SMILES: c1(cc(c2cc(C(N(C)C)C)ccc2)ccc1OC)CO
• Canonical SMILES: OCc1cc(ccc1OC)c1cccc(c1)C(N(C)C)C
• InChI: InChI=1S/C18H23NO2/c1-13(19(2)3)14-6-5-7-15(10-14)16-8-9-18(21-4)17(11-16)12-20/h5-11,13,20H,12H2,1-4H3
• InChIKey: JZCSVOUYPWKKSX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-{3-[1-(dimethylamino)ethyl]phenyl}-2-methoxyphenyl)methanol
• IUPAC Traditional name: (5-{3-[1-(dimethylamino)ethyl]phenyl}-2-methoxyphenyl)methanol
• Synonyms: {3'-[1-(dimethylamino)ethyl]-4-methoxybiphenyl-3-yl}methanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.650493
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.30382988
• LogD (pH = 7.4): 1.0566926
• Log P: 3.053422
• Molar Refractivity: 87.4348 cm^3
• Polarizability: 35.211742 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.05
• LOG S: -2.88
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 5