4-[(7-Chloro-4-Quinolinyl)Amino]-2-[(Diethylamino)Methyl]-3,6-Difluorophenol

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Properties Simple | Detailed

Formula C20H20ClF2N3O
IUPAC Name 4-[(7-chloro-4-quinolyl)amino]-2-(diethylaminomethyl)-3,6-difluoro-phenol
Molecular Mass 391.842 g·mol−1
Heat of Formation -347.9 ± 16.7 kJ·mol−1
Dipole Moment 8.64 ± 1.08 D
Volume 436.37 Å 3
Surface Area 383.41 Å 2
HOMO Energy -8.51 ± 0.55 eV
LUMO Energy -0.96 ± eV
Point Group Symmetry C1
Synonyms
  • 2',6'-difluoroamodiaquine
  • 4-((7-chloro-4-quinolinyl)amino)-2-((diethylamino)methyl)-3,6-difluorophenol
  • 4-[(7-chloro-4-quinolyl)amino]-2-(diethylaminomethyl)-3,6-difluorophenol
  • 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)-3,6-difluoro-phenol
  • 4-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)-3,6-difluorophenol
  • phenol, 4-((7-chloro-4-quinolinyl)amino)-2-((diethylamino)methyl)-3,6-difluoro-
CAS Number(s)
  • 155020-40-9
InChIKey WNWQFAFJVCDDLQ-UHFFFAOYSA-N
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Elements C F H Cl O N