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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 15:19:07 UTC
Update Date2025-03-25 01:00:50 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02245069
Frequency0.5
Structure
Chemical FormulaC18H21BrN2
Molecular Mass344.0888
SMILESCN1CCCC1CC(c1ccc(Br)cc1)c1cccnc1
InChI KeySJMMVNOMIBZUCN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass halobenzenes
Direct Parent bromobenzenes
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aryl bromides
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-alkylpyrrolidines
  • organobromides
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • aromatic heteromonocyclic compound
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • bromobenzene
  • methylpyridine
  • organohalogen compound
  • aryl halide
  • pyridine
  • organonitrogen compound
  • organobromide
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • aryl bromide
  • amine
  • tertiary amine
  • organoheterocyclic compound