methyl({3-[4-(trifluoromethoxy)phenyl]propyl})amine

• ChemBase ID: 808769
• Molecular Formular: C11H14F3NO
• Molecular Mass: 233.2301696
• Monoisotopic Mass: 233.10274873
• SMILES: N(CCCc1ccc(cc1)OC(F)(F)F)C
• Canonical SMILES: CNCCCc1ccc(cc1)OC(F)(F)F
• InChI: InChI=1S/C11H14F3NO/c1-15-8-2-3-9-4-6-10(7-5-9)16-11(12,13)14/h4-7,15H,2-3,8H2,1H3
• InChIKey: QFUGNYKGTQERIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl({3-[4-(trifluoromethoxy)phenyl]propyl})amine
• IUPAC Traditional name: methyl({3-[4-(trifluoromethoxy)phenyl]propyl})amine
• Synonyms: METHYL-[3-(4-TRIFLUOROMETHOXY-PHENYL)-PROPYL]-AMINE

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.46630383
• LogD (pH = 7.4): 0.97185534
• Log P: 3.6959362
• Molar Refractivity: 51.7323 cm^3
• Polarizability: 20.918377 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%