2-(4-((1Z)-4-Chloro-1,2-Diphenyl-1-Butenyl)Phenoxy)-N-Methylethanamine

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Properties Simple | Detailed

Formula C25H26ClNO
IUPAC Name 2-[4-[(z)-4-chloro-1,2-diphenyl-but-1-enyl]phenoxy]-n-methyl-ethanamine
Molecular Mass 391.933 g·mol−1
Heat of Formation 77.7 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 489.34 Å 3
Surface Area 416.9 Å 2
HOMO Energy -8.68 ± 0.55 eV
LUMO Energy -0.18 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[4-[(z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]-n-methyl-ethanamine
  • 2-[4-[(z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]-n-methylethanamine
  • 2-[4-[(z)-4-chloro-1,2-di(phenyl)but-1-enyl]phenoxy]ethyl-methyl-amine
  • ethanamine, 2-(4-(4-chloro-1,2-diphenyl-1-butenyl)phenoxy)-n-methyl-, (z)-
  • n-demethyltoremifene
  • n-desmethyltoremifene
CAS Number(s)
  • 110503-61-2
InChIKey WKJKBQYEFAFHCY-IZHYLOQSSA-N
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