Compound Identification
SMILES
COCC(C)C1NC2=C(N=C(Cl)N=C2NC(C)(C)CC2=CC=C(F)C=C2)C1=O
InChIKey
InChIKey=MCMUOJVBIAUVAR-UHFFFAOYSA-N
Formula
C20H24ClFN4O2
Mass
406.89
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
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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
Pyrrolopyrimidines Phenylpropanes Aryl alkyl ketones Secondary alkylarylamines 2-halopyrimidines Aminopyrimidines and derivatives Fluorobenzenes Aryl chlorides Imidolactams Aryl fluorides Vinylogous amides Pyrroles Heteroaromatic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides Aldehydes Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Amphetamine or derivatives - Phenylpropane - Pyrrolopyrimidine - Aryl alkyl ketone - Aryl ketone - Aminopyrimidine - 2-halopyrimidine - Fluorobenzene - Halobenzene - Halopyrimidine - Secondary aliphatic/aromatic amine - Aryl chloride - Aryl fluoride - Aryl halide - Imidolactam - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Pyrrole - Ketone - Secondary amine - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Aldehyde - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organohalogen compound - Organochloride - 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