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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:46:22 UTC
Update Date2025-03-21 18:00:52 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00029812
Frequency125.2
Structure
Chemical FormulaC11H13Cl2N
Molecular Mass229.0425
SMILESCN1CCCC1c1ccc(Cl)c(Cl)c1
InChI KeyUYZFMKFDDXFPRN-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • aralkylamines
  • aryl chlorides
  • azacyclic compounds
  • dichlorobenzenes
  • hydrocarbon derivatives
  • n-alkylpyrrolidines
  • organochlorides
  • organopnictogen compounds
  • pyrroles
  • trialkylamines
    • Substituents
  • monocyclic benzene moiety
  • aromatic heteromonocyclic compound
  • organochloride
  • organohalogen compound
  • aralkylamine
  • organonitrogen compound
  • organopnictogen compound
  • 1,2-dichlorobenzene
  • tertiary amine
  • aryl chloride
  • chlorobenzene
  • azacycle
  • n-alkylpyrrolidine
  • 2-phenylpyrrolidine
  • tertiary aliphatic amine
  • aryl halide
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • organic nitrogen compound
  • halobenzene
  • amine