Compound Identification
SMILES
COC[C@H](CC1=CC=CC=C1)N1N=NC2=C1N=C(C)N=C2NC1=C(Br)C=C(C=C1)C(C)C
InChIKey
InChIKey=LQTULWFILCBYJG-IBGZPJMESA-N
Formula
C24H27BrN6O
Mass
495.425
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
Triazolopyrimidines Phenylpropanes Cumenes Aniline and substituted anilines Bromobenzenes Aminopyrimidines and derivatives Imidolactams Aryl bromides Triazoles Heteroaromatic compounds Secondary amines Dialkyl ethers Azacyclic compounds Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amphetamine or derivatives - Cumene - Phenylpropane - Triazolopyrimidine - Aniline or substituted anilines - Aminopyrimidine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Pyrimidine - Imidolactam - 1,2,3-triazole - Triazole - Azole - Heteroaromatic compound - Organoheterocyclic compound - Secondary amine - Azacycle - Ether - Dialkyl ether - Organic oxygen compound - Organohalogen compound - Hydrocarbon derivative - Organobromide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen 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