(1S)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethan-1-amine

• ChemBase ID: 806893
• Molecular Formular: C11H14F3NO3
• Molecular Mass: 265.2289696
• Monoisotopic Mass: 265.09257797
• SMILES: N[C@H](C(F)(F)F)c1c(cc(cc1OC)OC)OC
• Canonical SMILES: COc1cc(OC)cc(c1[C@@H](C(F)(F)F)N)OC
• InChI: InChI=1S/C11H14F3NO3/c1-16-6-4-7(17-2)9(8(5-6)18-3)10(15)11(12,13)14/h4-5,10H,15H2,1-3H3/t10-/m0/s1
• InChIKey: DPELZHABQUNLRB-JTQLQIEISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethan-1-amine
• IUPAC Traditional name: (1S)-2,2,2-trifluoro-1-(2,4,6-trimethoxyphenyl)ethanamine
• Synonyms: (1S)-2,2,2-TRIFLUORO-1-(2,4,6-TRIMETHOXYPHENYL)ETHYLAMINE

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 1.6290104
• LogD (pH = 7.4): 1.6407125
• Log P: 1.6408638
• Molar Refractivity: 59.0413 cm^3
• Polarizability: 22.497534 Å^3
• Polar Surface Area: 53.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%