N-[3,3-Bis(4-Fluorophenyl)Propyl]-N,N'-Dimethyl-N'-(3,4,5-Trimethoxybenzyl)-1,2-Ethanediamine

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Formula C29H36F2N2O3
IUPAC Name n-[3,3-bis(4-fluorophenyl)propyl]-n,n'-dimethyl-n'-[(3,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
Molecular Mass 498.605 g·mol−1
Heat of Formation -641.4 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 621.18 Å 3
Surface Area 443.27 Å 2
HOMO Energy -8.71 ± 0.55 eV
LUMO Energy -0.43 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-ethanediamine, n-(3,3-bis(4-fluorophenyl)propyl)-n,n'-dimethyl-n'-((3,4,5-trimethoxyphenyl)methyl)-
  • 3,3-bis(4-fluorophenyl)propyl-methyl-[2-[methyl-(3,4,5-trimethoxybenzyl)amino]ethyl]amine
  • n,n'-dimethyl-n-[3,4-di(4-fluorophenyl)propyl]-n'-(3,4,5-trimethoxybenzyl)ethylenediamine
  • n-[3,3-bis(4-fluorophenyl)propyl]-n,n'-dimethyl-n'-[(3,4,5-trimethoxyphenyl)methyl]ethane-1,2-diamine
  • sim 6080
  • sim-6080
CAS Number(s)
  • 118790-68-4
InChIKey NOMSFNRBXCWAIE-UHFFFAOYSA-N
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