2-({(2R)-1-[3-(Trifluoromethyl)Phenyl]-2-Propanyl}Amino)Ethyl Benzoate

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Properties Simple | Detailed

Formula C19H20F3NO2
IUPAC Name 2-[[(1r)-1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl benzoate
Molecular Mass 351.363 g·mol−1
Heat of Formation -890.1 ± 16.7 kJ·mol−1
Dipole Moment 5.50 ± 1.08 D
Volume 411.9 Å 3
Surface Area 313.43 Å 2
HOMO Energy -9.07 ± 0.55 eV
LUMO Energy -0.22 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[(1r)-1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl benzoate
  • 2-[[(2r)-1-[3-(trifluoromethyl)phenyl]propan-2-yl]amino]ethyl benzoate
  • benzoic acid 2-[[(1r)-1-methyl-2-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl ester
InChIKey CJAVTWRYCDNHSM-CQSZACIVSA-N
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