2-phenyl-2-[3-(trifluoromethoxy)phenoxy]ethan-1-amine

• ChemBase ID: 808885
• Molecular Formular: C15H14F3NO2
• Molecular Mass: 297.2723696
• Monoisotopic Mass: 297.09766335
• SMILES: NCC(Oc1cc(ccc1)OC(F)(F)F)c1ccccc1
• Canonical SMILES: NCC(c1ccccc1)Oc1cccc(c1)OC(F)(F)F
• InChI: InChI=1S/C15H14F3NO2/c16-15(17,18)21-13-8-4-7-12(9-13)20-14(10-19)11-5-2-1-3-6-11/h1-9,14H,10,19H2
• InChIKey: VFBOIZCJBSYAAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-2-[3-(trifluoromethoxy)phenoxy]ethan-1-amine
• IUPAC Traditional name: 2-phenyl-2-[3-(trifluoromethoxy)phenoxy]ethanamine
• Synonyms: 2-PHENYL-2-(3-TRIFLUOROMETHOXY-PHENOXY)-ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.3274759
• LogD (pH = 7.4): 2.6361816
• Log P: 4.2339425
• Molar Refractivity: 67.8241 cm^3
• Polarizability: 27.534163 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%