2-[2-(3-ethoxyphenyl)phenyl]ethan-1-amine

• ChemBase ID: 712357
• Molecular Formular: C16H19NO
• Molecular Mass: 241.32816
• Monoisotopic Mass: 241.14666423
• SMILES: c1(c2c(CCN)cccc2)cc(OCC)ccc1
• Canonical SMILES: NCCc1ccccc1c1cccc(c1)OCC
• InChI: InChI=1S/C16H19NO/c1-2-18-15-8-5-7-14(12-15)16-9-4-3-6-13(16)10-11-17/h3-9,12H,2,10-11,17H2,1H3
• InChIKey: YAWFJSHFIUXUJG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(3-ethoxyphenyl)phenyl]ethan-1-amine
• IUPAC Traditional name: 2-[2-(3-ethoxyphenyl)phenyl]ethanamine
• Synonyms: 2-(3'-ethoxybiphenyl-2-yl)ethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.22634834
• LogD (pH = 7.4): 0.962001
• Log P: 3.2340374
• Molar Refractivity: 75.6344 cm^3
• Polarizability: 30.898367 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.51
• LOG S: -2.95
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 5