Compound Identification
SMILES
COC1=CC=C(CC(CNC2=C(C=C(Br)C=C2)C(O)=O)NC(=O)OC(C)(C)C)C=C1
InChIKey
InChIKey=QEZNIIZPILXTEM-UHFFFAOYSA-N
Formula
C22H27BrN2O5
Mass
479.371
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
Aminobenzoic acids Halobenzoic acids 3-halobenzoic acids Benzoic acids Phenoxy compounds Methoxybenzenes Anisoles Aniline and substituted anilines Benzoyl derivatives Phenylalkylamines Alkyl aryl ethers Bromobenzenes Secondary alkylarylamines Aryl bromides Carbamate esters Vinylogous amides Amino acids Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminobenzoic acid - Aminobenzoic acid or derivatives - Amphetamine or derivatives - 3-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Benzoyl - Phenol ether - Phenoxy compound - Anisole - Methoxybenzene - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Bromobenzene - Secondary aliphatic/aromatic amine - Halobenzene - Aralkylamine - Aryl halide - Aryl bromide - Vinylogous amide - Carbamic acid ester - Amino acid or derivatives - Amino acid - Carboxylic acid - Carboxylic acid derivative - Ether - Secondary amine - Organohalogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organobromide - Carbonyl group - Aromatic homomonocyclic 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