Compound Identification
SMILES
NC[C@H](CC1=CC=CC=C1F)NC(=O)C1=CC(Br)=C(S1)C1=C2C=CNC2=NC=C1
InChIKey
InChIKey=RPLOLSBTEYRLOE-ZDUSSCGKSA-N
Formula
C21H18BrFN4OS
Mass
473.36
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
Pyrrolopyridines Thiophene carboxamides 2,3,5-trisubstituted thiophenes 2-heteroaryl carboxamides Aralkylamines Fluorobenzenes Pyridines and derivatives Aryl bromides Aryl fluorides Heteroaromatic compounds Pyrroles Amino acids and derivatives Secondary carboxylic acid amides Azacyclic compounds Monoalkylamines Hydrocarbon derivatives Organooxygen compounds Organic oxides Organobromides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amphetamine or derivatives - Pyrrolopyridine - 2-heteroaryl carboxamide - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - 2,3,5-trisubstituted thiophene - Aralkylamine - Fluorobenzene - Halobenzene - Aryl halide - Pyridine - Aryl fluoride - Aryl bromide - Pyrrole - Thiophene - Heteroaromatic compound - Carboxamide group - Secondary carboxylic acid amide - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Organohalogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organobromide - Organofluoride - Organonitrogen compound - 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