(2S)-1-(4-Bromophenyl)-3-{[5-(3-Methyl-1H-Indazol-5-Yl)-3-Pyridinyl]Oxy}-2-Propanamine

Molecule SVG Image

Properties Simple | Detailed

Formula C22H21BrN4O
IUPAC Name (2s)-1-(4-bromophenyl)-3-[[5-(3-methylindazol-1-ium-5-yl)-3-pyridyl]oxy]propan-2-amine
Molecular Mass 437.332 g·mol−1
Heat of Formation 293.3 ± 16.7 kJ·mol−1
Dipole Moment 1.67 ± 1.08 D
Volume 471.47 Å 3
Surface Area 420.78 Å 2
HOMO Energy -8.85 ± 0.55 eV
LUMO Energy 2.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-1-(4-bromophenyl)-3-[5-(3-methyl-2h-indazol-5-yl)pyridin-3-yl]oxy-propan-2-amine
  • (2s)-1-(4-bromophenyl)-3-[5-(3-methyl-2h-indazol-5-yl)pyridin-3-yl]oxypropan-2-amine
  • (2s)-1-(4-bromophenyl)-3-[[5-(3-methyl-2h-indazol-5-yl)-3-pyridyl]oxy]propan-2-amine
  • [(1s)-1-(4-bromobenzyl)-2-[[5-(3-methyl-2h-indazol-5-yl)-3-pyridyl]oxy]ethyl]amine
  • ss4
InChIKey VLPMRZSKJUTRBQ-IBGZPJMESA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C Br O N