N-{[5-(Benzyloxy)-1-Methyl-1H-Indol-2-Yl]Methyl}-N-Methyl-2-Propyn-1-Amine

Molecule SVG Image

Properties Simple | Detailed

Formula C21H22N2O
IUPAC Name n-[(5-benzyloxy-1-methyl-indol-1-ium-2-ylium-2-yl)methyl]-n-methyl-prop-2-yn-1-amine
Molecular Mass 318.412 g·mol−1
Heat of Formation 371.3 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 382.53 Å 3
Surface Area 353.04 Å 2
HOMO Energy -8.10 ± 0.55 eV
LUMO Energy -0.02 ± eV
Point Group Symmetry C1
Synonyms
  • [5-(benzyloxy)-1-methyl-indol-2-yl]methyl-methyl-propargyl-amine
  • n-methyl-n-(2-propynyl)-2-(5-benzyloxy-1-methylindolyl)methylamine
  • n-methyl-n-[[1-methyl-5-(phenylmethoxy)-2-indolyl]methyl]prop-2-yn-1-amine
  • n-methyl-n-[[1-methyl-5-(phenylmethoxy)indol-2-yl]methyl]prop-2-yn-1-amine
  • nmpbmi
CAS Number(s)
  • 130081-93-5
InChIKey YASPBSWTXDWFLF-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N