| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 00:27:21 UTC |
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| Update Date | 2025-03-21 18:39:56 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID00127883 |
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| Frequency | 20.0 |
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| Structure | |
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| Chemical Formula | C19H18F2N2O2 |
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| Molecular Mass | 344.1336 |
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| SMILES | N#Cc1ccc2c(c1)COC2(CCCN)c1ccc(OC(F)F)cc1 |
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| InChI Key | JRSRACWDDYLDTF-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | benzenoids |
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| Class | benzene and substituted derivatives |
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| Subclass | phenylbutylamines |
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| Direct Parent | phenylbutylamines |
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| Geometric Descriptor | aromatic heteropolycyclic compounds |
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| Alternative Parents | alkyl fluoridesdialkyl ethershydrocarbon derivativesisocoumaransmonoalkylaminesnitrilesorganofluoridesorganonitrogen compoundsorganopnictogen compoundsoxacyclic compoundsphenol ethersphenoxy compounds |
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| Substituents | phenol etherethernitrileorganohalogen compounddialkyl etherphenylbutylamineisocoumaranaromatic heteropolycyclic compoundorganonitrogen compoundorganopnictogen compoundalkyl halidecarbonitrileorganoheterocyclic compoundalkyl fluorideorganofluorideoxacycleorganic oxygen compoundhydrocarbon derivativeprimary aliphatic amineorganic nitrogen compoundphenoxy compoundorganooxygen compound |
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