Compound Identification
SMILES
CC1=CC(=CC2=C1N\C(N2)=C1\C(NC(CO)CC2=CC(Br)=CC=C2)=CC=NC1=O)N1C=CN=C1
InChIKey
InChIKey=TXWGPHCNPGZMMM-GYHWCHFESA-N
Formula
C25H23BrN6O2
Mass
519.403
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
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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
Benzimidazoles Aralkylamines Bromobenzenes Dihydropyridines Aryl bromides N-substituted imidazoles Heteroaromatic compounds Vinylogous amides N-acylimines Ketene acetals 1,2-aminoalcohols Enamines Dialkylamines Carboxylic acids and derivatives Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Hydrocarbon derivatives Organobromides Carbonyl compounds Primary alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amphetamine or derivatives - Benzimidazole - Aralkylamine - Bromobenzene - Dihydropyridine - Halobenzene - Aryl bromide - Aryl halide - Hydropyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - 1,2-aminoalcohol - N-acylimine - Ketene acetal or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Secondary aliphatic amine - Propargyl-type 1,3-dipolar organic compound - Enamine - Organic 1,3-dipolar compound - Organonitrogen compound - Alcohol - Primary alcohol - Carbonyl group - Amine - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organobromide - Aromatic heteropolycyclic 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