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Record Information
HMDB StatusNot Available
Creation Date2024-02-20 23:44:43 UTC
Update Date2025-03-21 18:00:14 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00026002
Frequency147.7
Structure
Chemical FormulaC19H19FN2O
Molecular Mass310.1481
SMILESN#Cc1ccc2c(c1)CCOC2(CCCN)c1ccc(F)cc1
InChI KeyINSRRRJFFCKPOA-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassbenzenoids
Classbenzene and substituted derivatives
Subclass phenylbutylamines
Direct Parent phenylbutylamines
Geometric Descriptor aromatic heteropolycyclic compounds
Alternative Parents
  • 2-benzopyrans
  • aryl fluorides
  • dialkyl ethers
  • fluorobenzenes
  • hydrocarbon derivatives
  • monoalkylamines
  • nitriles
  • organofluorides
  • organonitrogen compounds
  • organopnictogen compounds
  • oxacyclic compounds
    • Substituents
  • aryl fluoride
  • ether
  • nitrile
  • organohalogen compound
  • dialkyl ether
  • fluorobenzene
  • phenylbutylamine
  • aromatic heteropolycyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • isochromane
  • carbonitrile
  • organoheterocyclic compound
  • benzopyran
  • organofluoride
  • aryl halide
  • oxacycle
  • organic oxygen compound
  • 2-benzopyran
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • halobenzene
  • organooxygen compound