(3S)-N-Methyl-3-Phenyl-3-[4-(Trifluoromethyl)Phenoxy]-1-Propanamine

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Properties Simple | Detailed

Formula C17H18F3NO
IUPAC Name (3s)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
Molecular Mass 309.326 g·mol−1
Heat of Formation -663.8 ± 16.7 kJ·mol−1
Dipole Moment 3.61 ± 1.08 D
Volume 361.56 Å 3
Surface Area 327.09 Å 2
HOMO Energy -9.23 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-n-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine
  • methyl-[(3s)-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propyl]amine
  • pdsp1_000627
  • pdsp2_000623
  • tocris-0927
InChIKey RTHCYVBBDHJXIQ-INIZCTEOSA-N
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Elements H C N O F