5-{[1-(2-Fluorobenzyl)-4-Piperidinyl]Methoxy}-2,4-Quinazolinediamine

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Properties Simple | Detailed

Formula C21H24FN5O
IUPAC Name 5-[[1-[(2-fluorophenyl)methyl]-4-piperidyl]methoxy]quinazoline-2,4-diamine
Molecular Mass 381.447 g·mol−1
Heat of Formation -98.0 ± 16.7 kJ·mol−1
Dipole Moment 3.78 ± 1.08 D
Volume 450.96 Å 3
Surface Area 391.91 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -0.49 ± eV
Point Group Symmetry C1
Synonyms
  • 5-[[1-[(2-fluorophenyl)methyl]-4-piperidinyl]methoxy]quinazoline-2,4-diamine
  • 5-[[1-[(2-fluorophenyl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
  • [2-amino-5-[[1-(2-fluorobenzyl)-4-piperidyl]methoxy]quinazolin-4-yl]amine
InChIKey GYKIQIOWVKCVBP-UHFFFAOYSA-N
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