Compound Identification
SMILES
COCCC1=CC(Br)=C(OCC(O)CNC(C)CC2=CC=C(O)C=C2)C=C1
InChIKey
InChIKey=FIALOYPZFSGHEE-UHFFFAOYSA-N
Formula
C21H28BrNO4
Mass
438.362
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenethylamines
- Level 5 Amphetamines and derivatives
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Subclass
Phenethylamines
-
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
Tyrosols and derivatives Phenylpropanes Phenoxy compounds Phenol ethers Bromobenzenes Aralkylamines Alkyl aryl ethers 1-hydroxy-2-unsubstituted benzenoids Aryl bromides Secondary alcohols 1,2-aminoalcohols Dialkylamines Dialkyl ethers Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Amphetamine or derivatives - Tyrosol derivative - Phenylpropane - Phenoxy compound - Phenol ether - 1-hydroxy-2-unsubstituted benzenoid - Alkyl aryl ether - Aralkylamine - Phenol - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - 1,2-aminoalcohol - Secondary alcohol - Secondary amine - Dialkyl ether - Secondary aliphatic amine - Ether - Alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organobromide - Organohalogen compound - 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