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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:12:53 UTC
Update Date2025-03-25 00:58:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02230742
Frequency0.5
Structure
Chemical FormulaC17H19FN2O
Molecular Mass286.1481
SMILESCN1CCC(C(O)(c2ccc(F)cc2)c2ccccn2)C1
InChI KeyJVBDGOLWPZCUFG-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent fluorobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • 1,3-aminoalcohols
  • 2-halopyridines
  • aromatic alcohols
  • aryl fluorides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • hydroxypyridines
  • methylpyridines
  • n-alkylpyrrolidines
  • organofluorides
  • organopnictogen compounds
  • tertiary alcohols
  • trialkylamines
    • Substituents
  • aryl fluoride
  • aromatic alcohol
  • aromatic heteromonocyclic compound
  • organohalogen compound
  • fluorobenzene
  • organonitrogen compound
  • organopnictogen compound
  • 2-halopyridine
  • pyrrolidine
  • tertiary amine
  • organoheterocyclic compound
  • alcohol
  • 1,3-aminoalcohol
  • azacycle
  • n-alkylpyrrolidine
  • organofluoride
  • heteroaromatic compound
  • tertiary aliphatic amine
  • hydroxypyridine
  • methylpyridine
  • aryl halide
  • tertiary alcohol
  • pyridine
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound