2-{[(3-ethoxyphenyl)methyl](2-phenylethyl)amino}ethan-1-ol

• ChemBase ID: 343194
• Molecular Formular: C19H25NO2
• Molecular Mass: 299.4073
• Monoisotopic Mass: 299.18852905
• SMILES: c1(CN(CCc2ccccc2)CCO)cc(OCC)ccc1
• Canonical SMILES: OCCN(Cc1cccc(c1)OCC)CCc1ccccc1
• InChI: InChI=1S/C19H25NO2/c1-2-22-19-10-6-9-18(15-19)16-20(13-14-21)12-11-17-7-4-3-5-8-17/h3-10,15,21H,2,11-14,16H2,1H3
• InChIKey: RWNJIJUZMDDNSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(3-ethoxyphenyl)methyl](2-phenylethyl)amino}ethan-1-ol
• IUPAC Traditional name: 2-{[(3-ethoxyphenyl)methyl](2-phenylethyl)amino}ethanol
• Synonyms: 2-[(3-ethoxybenzyl)(2-phenylethyl)amino]ethanol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.592589
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 0.20678645
• LogD (pH = 7.4): 1.7710828
• Log P: 3.4368117
• Molar Refractivity: 91.4724 cm^3
• Polarizability: 35.585384 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.0
• LOG S: -3.79
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 9