{[2-(5-fluoro-2-methoxyphenyl)phenyl]methyl}(propan-2-yl)amine

• ChemBase ID: 646473
• Molecular Formular: C17H20FNO
• Molecular Mass: 273.3452032
• Monoisotopic Mass: 273.15289249
• SMILES: c1(c2c(CNC(C)C)cccc2)c(ccc(c1)F)OC
• Canonical SMILES: COc1ccc(cc1c1ccccc1CNC(C)C)F
• InChI: InChI=1S/C17H20FNO/c1-12(2)19-11-13-6-4-5-7-15(13)16-10-14(18)8-9-17(16)20-3/h4-10,12,19H,11H2,1-3H3
• InChIKey: OTPYMBAJUKINEU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(5-fluoro-2-methoxyphenyl)phenyl]methyl}(propan-2-yl)amine
• IUPAC Traditional name: {[2-(5-fluoro-2-methoxyphenyl)phenyl]methyl}(isopropyl)amine
• Synonyms: N-[(5'-fluoro-2'-methoxybiphenyl-2-yl)methyl]propan-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.7131866
• LogD (pH = 7.4): 1.3337172
• Log P: 3.9372337
• Molar Refractivity: 80.2892 cm^3
• Polarizability: 32.36711 Å^3
• Polar Surface Area: 21.26 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: 3.92
• LOG S: -3.53
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 5