Compound Identification
SMILES
NC(CC1=CC=CC=C1)C1=NC(=CO1)C(=O)NCCC1=CC=C(Br)C=C1
InChIKey
InChIKey=YYKRQHXVCLHONJ-UHFFFAOYSA-N
Formula
C20H20BrN3O2
Mass
414.303
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
2-heteroaryl carboxamides Bromobenzenes Aralkylamines 2,4-disubstituted oxazoles Aryl bromides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organobromides Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Amphetamine or derivatives - 2-heteroaryl carboxamide - 2,4-disubstituted 1,3-oxazole - Aralkylamine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Heteroaromatic compound - Azole - Oxazole - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organooxygen compound - Organic oxide - Primary amine - Organic oxygen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Primary aliphatic amine - Organohalogen compound - Organobromide - Organonitrogen 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