N-{(3S,4S)-4-[(6-Amino-4-Methyl-2-Pyridinyl)Methyl]-3-Pyrrolidinyl}-N'-[2-(3-Fluorophenyl)Ethyl]-1,2-Ethanediamine

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Formula C21H30FN5
IUPAC Name n'-[(3s,4s)-4-[(6-amino-4-methyl-2-pyridyl)methyl]pyrrolidin-3-yl]-n-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
Molecular Mass 371.495 g·mol−1
Heat of Formation -30.8 ± 16.7 kJ·mol−1
Dipole Moment 3.80 ± 1.08 D
Volume 477.11 Å 3
Surface Area 432.79 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
Synonyms
  • [(3s,4s)-4-[(6-amino-4-methyl-2-pyridyl)methyl]pyrrolidin-3-yl]-[2-[2-(3-fluorophenyl)ethylamino]ethyl]amine
  • n-[(3s,4s)-4-[(6-amino-4-methyl-2-pyridyl)methyl]-3-pyrrolidinyl]-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
  • n-[(3s,4s)-4-[(6-amino-4-methyl-2-pyridyl)methyl]pyrrolidin-3-yl]-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
  • n-[(3s,4s)-4-[(6-amino-4-methyl-pyridin-2-yl)methyl]pyrrolidin-3-yl]-n'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine
InChIKey PUOKPLCASUFBAN-FXAWDEMLSA-N
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