(2S,3S)-2-(Diphenylmethyl)-N-(5-Isopropyl-2-Methoxybenzyl)Quinuclidin-3-Amine

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Properties Simple | Detailed

Formula C31H38N2O
IUPAC Name (2s,3s)-2-benzhydryl-n-[[2-methoxy-5-(1-methylethyl)phenyl]methyl]quinuclidin-3-amine
Molecular Mass 454.646 g·mol−1
Heat of Formation 58.0 ± 16.7 kJ·mol−1
Dipole Moment 2.71 ± 1.08 D
Volume 598.46 Å 3
Surface Area 443.31 Å 2
HOMO Energy -8.46 ± 0.55 eV
LUMO Energy 3.43 ± eV
Point Group Symmetry C1
Synonyms
  • (2s,3s)-2-[di(phenyl)methyl]-n-[(5-isopropyl-2-methoxy-phenyl)methyl]quinuclidin-3-amine
  • (2s,3s)-2-[di(phenyl)methyl]-n-[(5-isopropyl-2-methoxyphenyl)methyl]-3-quinuclidinamine
  • (7s,8s)-7-[di(phenyl)methyl]-n-[(2-methoxy-5-propan-2-yl-phenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine
  • (7s,8s)-7-[di(phenyl)methyl]-n-[(2-methoxy-5-propan-2-ylphenyl)methyl]-1-azabicyclo[2.2.2]octan-8-amine
  • [(2s,3s)-2-[di(phenyl)methyl]quinuclidin-3-yl]-(5-isopropyl-2-methoxy-benzyl)amine
CAS Number(s)
  • 147116-64-1
InChIKey XPNMCDYOYIKVGB-CONSDPRKSA-N
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