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

• ChemBase ID: 808768
• Molecular Formular: C11H14F3NO
• Molecular Mass: 233.2301696
• Monoisotopic Mass: 233.10274873
• SMILES: N(CCCc1cc(ccc1)OC(F)(F)F)C
• Canonical SMILES: CNCCCc1cccc(c1)OC(F)(F)F
• InChI: InChI=1S/C11H14F3NO/c1-15-7-3-5-9-4-2-6-10(8-9)16-11(12,13)14/h2,4,6,8,15H,3,5,7H2,1H3
• InChIKey: WBWQGKXSKRCECQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.46705738
• LogD (pH = 7.4): 0.99011964
• Log P: 3.6959362
• Molar Refractivity: 51.7323 cm^3
• Polarizability: 20.918884 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%