Compound Identification
SMILES
CC(C)(CC(O)(CNC1=CC2=C(C=C1)C(=O)OC2)C(F)(F)F)C1=C(O)C=CC(F)=C1
InChIKey
InChIKey=QNDBLFHVAMTSHZ-UHFFFAOYSA-N
Formula
C21H21F4NO4
Mass
427.396
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Phthalides Phenylpropanes P-fluorophenols Secondary alkylarylamines 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Fluorobenzenes Aryl fluorides Tertiary alcohols 1,2-aminoalcohols Amino acids and derivatives Lactones Fluorohydrins Carboxylic acid esters Oxacyclic compounds Organic oxides Alkyl fluorides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Isobenzofuranone - Phthalide - Phenylpropane - Isocoumaran - 4-halophenol - 4-fluorophenol - Halobenzene - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Secondary aliphatic/aromatic amine - Fluorobenzene - Aralkylamine - Aryl halide - Aryl fluoride - Tertiary alcohol - Amino acid or derivatives - Lactone - Fluorohydrin - 1,2-aminoalcohol - Halohydrin - Carboxylic acid ester - Carboxylic acid derivative - Oxacycle - Organoheterocyclic compound - Secondary amine - Alkyl halide - Alkyl fluoride - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available