[2-(2-fluoro-5-methoxyphenyl)phenyl]methanamine

• ChemBase ID: 345767
• Molecular Formular: C14H14FNO
• Molecular Mass: 231.2654632
• Monoisotopic Mass: 231.10594229
• SMILES: c1(c2c(CN)cccc2)c(ccc(c1)OC)F
• Canonical SMILES: COc1ccc(c(c1)c1ccccc1CN)F
• InChI: InChI=1S/C14H14FNO/c1-17-11-6-7-14(15)13(8-11)12-5-3-2-4-10(12)9-16/h2-8H,9,16H2,1H3
• InChIKey: UCDMWNNMNHNXDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-fluoro-5-methoxyphenyl)phenyl]methanamine
• IUPAC Traditional name: [2-(2-fluoro-5-methoxyphenyl)phenyl]methanamine
• Synonyms: 1-(2'-fluoro-5'-methoxybiphenyl-2-yl)methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.26947266
• LogD (pH = 7.4): 0.55021477
• Log P: 2.7312703
• Molar Refractivity: 66.3472 cm^3
• Polarizability: 26.830153 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.19
• LOG S: -2.6
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 3