Compound Identification
SMILES
CC(O)C1CN(C(=O)COC2=CC=C(Cl)C=C2)C(C)(CC2=CC=C(F)C=C2)CN1
InChIKey
InChIKey=XQHHDEUSEDGRBI-UHFFFAOYSA-N
Formula
C22H26ClFN2O3
Mass
420.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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Subclass
Phenethylamines
- Level 5 Amphetamines and derivatives
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Subclass
Phenethylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Amphetamines and derivatives
Alternative Parents
Phenol ethers Phenoxy compounds Alkyl aryl ethers Aralkylamines Chlorobenzenes Fluorobenzenes Aryl fluorides Aryl chlorides Piperazines Tertiary carboxylic acid amides 1,2-aminoalcohols Amino acids and derivatives Secondary alcohols Dialkylamines Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Amphetamine or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Chlorobenzene - Fluorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl fluoride - Aryl halide - 1,4-diazinane - Piperazine - Tertiary carboxylic acid amide - Secondary alcohol - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Secondary amine - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Ether - Azacycle - Organonitrogen compound - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Alcohol - Organochloride - Organic oxide - Organofluoride - Amine - Organooxygen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as amphetamines and derivatives. These are organic compounds containing or derived from 1-phenylpropan-2-amine.
External Descriptors
Not available