(2S,3S)-N-{[(1R)-6-Methoxy-1-Methyl-1-(Trifluoromethyl)-3,4-Dihydro-1H-Isochromen-7-Yl]Methyl}-2-Phenyl-3-Piperidinamine

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Properties Simple | Detailed

Formula C24H29F3N2O2
IUPAC Name (2s,3s)-n-[[(1r)-6-methoxy-1-methyl-1-(trifluoromethyl)isochroman-7-yl]methyl]-2-phenyl-piperidin-3-amine
Molecular Mass 434.494 g·mol−1
Heat of Formation -871.9 ± 16.7 kJ·mol−1
Dipole Moment 5.37 ± 1.08 D
Volume 509.29 Å 3
Surface Area 391.33 Å 2
HOMO Energy -8.70 ± 0.55 eV
LUMO Energy 0.27 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-n-[[(1r)-6-methoxy-1-methyl-1-(trifluoromethyl)-7-isochromanyl]methyl]-2-phenyl-3-piperidinamine
  • (2s,3s)-n-[[(1r)-6-methoxy-1-methyl-1-(trifluoromethyl)isochroman-7-yl]methyl]-2-phenyl-piperidin-3-amine
  • (2s,3s)-n-[[(1r)-6-methoxy-1-methyl-1-(trifluoromethyl)isochroman-7-yl]methyl]-2-phenylpiperidin-3-amine
  • [(1r)-6-methoxy-1-methyl-1-(trifluoromethyl)isochroman-7-yl]methyl-[(2s,3s)-2-phenyl-3-piperidyl]amine
InChIKey ODEBBNRINYMIRX-ACIOBRDBSA-N
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