4-({(3-Fluorobenzyl)[4-(2-Quinolinylmethoxy)Phenyl]Amino}Methyl)Benzoic Acid

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Properties Simple | Detailed

Formula C31H27FN2O3
IUPAC Name 4-[[(3-fluorophenyl)methyl-[4-(quinolin-2-ylmethoxy)phenyl]amino]methyl]benzoic acid
Molecular Mass 494.556 g·mol−1
Heat of Formation 1134.8 ± 16.7 kJ·mol−1
Dipole Moment 37.72 ± 1.08 D
Volume 578.57 Å 3
Surface Area 481.12 Å 2
HOMO Energy -6.54 ± 0.55 eV
LUMO Energy -4.63 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[(3-fluorobenzyl)-[4-(2-quinolylmethoxy)phenyl]amino]methyl]benzoic acid
  • 4-[[(3-fluorophenyl)methyl-[4-(2-quinolylmethoxy)phenyl]amino]methyl]benzoic acid
  • benzoic acid, 4-((((3-fluorophenyl)methyl)(4-(2-quinolinylmethoxy)phenyl)amino)methyl)-
  • eth 615
  • eth-615
CAS Number(s)
  • 133430-69-0
InChIKey KRCUWCAUDKTMPB-UHFFFAOYSA-N
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