2-[(1S)-3-(Diisopropylamino)-1-Phenylpropyl]-4-Methylphenol

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Properties Simple | Detailed

Formula C22H31NO
IUPAC Name 2-[(1s)-3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenol
Molecular Mass 325.488 g·mol−1
Heat of Formation -200.1 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 442.32 Å 3
Surface Area 353.64 Å 2
HOMO Energy -8.48 ± 0.55 eV
LUMO Energy 0.33 ± eV
Point Group Symmetry C1
Synonyms
  • (+)-(r)-2-(alpha-(2-(diisopropylamino)ethyl)benzyl)-p-cresol
  • (+)-tolterodine
  • 2-[(1s)-3-(di(propan-2-yl)amino)-1-phenyl-propyl]-4-methyl-phenol
  • 2-[(1s)-3-(di(propan-2-yl)amino)-1-phenylpropyl]-4-methylphenol
  • 2-[(1s)-3-(diisopropylamino)-1-phenyl-propyl]-4-methyl-phenol
  • d00646
  • kabi 2234
  • phenol, 2-((1r)-3-(bis(1-methylethyl)amino)-1-phenylpropyl)-4-methyl-
  • pnu 200583
  • tolterodine
  • tolterodine (usan/inn)
CAS Number(s)
  • 215929-30-9
  • 124937-51-5
InChIKey OOGJQPCLVADCPB-FQEVSTJZSA-N
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