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

• ChemBase ID: 324870
• Molecular Formular: C16H19N
• Molecular Mass: 225.32876
• Monoisotopic Mass: 225.15174961
• SMILES: c1(c2c(CC)cccc2)cc(ccc1)CCN
• Canonical SMILES: NCCc1cccc(c1)c1ccccc1CC
• InChI: InChI=1S/C16H19N/c1-2-14-7-3-4-9-16(14)15-8-5-6-13(12-15)10-11-17/h3-9,12H,2,10-11,17H2,1H3
• InChIKey: LSESFPGVRKMPQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.9836882
• LogD (pH = 7.4): 1.6984116
• Log P: 3.9928908
• Molar Refractivity: 74.0648 cm^3
• Polarizability: 30.229788 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 1
• H Donor: 1
• Log P: 4.21
• LOG S: -3.43
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4