(1R,3R)-7-Fluoro-N-Methyl-1-Phenyl-3,4-Dihydro-1H-Isochromen-3-Amine

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Properties Simple | Detailed

Formula C16H16FNO
IUPAC Name (1r,3r)-7-fluoro-n-methyl-1-phenyl-isochroman-3-amine
Molecular Mass 257.303 g·mol−1
Heat of Formation -188.0 ± 16.7 kJ·mol−1
Dipole Moment 1.24 ± 1.08 D
Volume 310.42 Å 3
Surface Area 275.64 Å 2
HOMO Energy -9.45 ± 0.55 eV
LUMO Energy -0.23 ± eV
Point Group Symmetry C1
Synonyms
  • (1r,3r)-7-fluoro-n-methyl-1-phenyl-3-isochromanamine
  • (1r,3r)-7-fluoro-n-methyl-1-phenyl-isochroman-3-amine
  • (1r,3r)-7-fluoro-n-methyl-1-phenylisochroman-3-amine
  • 1h-2-benzopyran-3-methanamine, 7-fluoro-3,4-dihydro-1-phenyl-, cis-
  • [(1r,3r)-7-fluoro-1-phenyl-isochroman-3-yl]-methyl-amine
  • cis-7-fluoro-1-phenyl-3-isochromanmethylamine
  • cis-7-fluoro-3,4-dihydro-1-phenyl-1h-2-benzopyran-3-methanamine
  • fenisorex
  • r-800
CAS Number(s)
  • 34887-52-0
InChIKey HEXAHJRXDZDVLR-HZPDHXFCSA-N
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