2-[2-(2-fluoro-5-methoxyphenyl)phenyl]ethan-1-amine

• ChemBase ID: 527638
• Molecular Formular: C15H16FNO
• Molecular Mass: 245.2920432
• Monoisotopic Mass: 245.12159236
• SMILES: c1(c2c(CCN)cccc2)c(ccc(c1)OC)F
• Canonical SMILES: NCCc1ccccc1c1cc(OC)ccc1F
• InChI: InChI=1S/C15H16FNO/c1-18-12-6-7-15(16)14(10-12)13-5-3-2-4-11(13)8-9-17/h2-7,10H,8-9,17H2,1H3
• InChIKey: RPFLKZPOZMHUFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.013177427
• LogD (pH = 7.4): 0.7612338
• Log P: 3.0199316
• Molar Refractivity: 71.1022 cm^3
• Polarizability: 28.59837 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 1
• Log P: 3.56
• LOG S: -3.02
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4