Compound Identification
SMILES
COC1=CC(C[C@@H](C)NC(=O)C(F)(F)F)=C(OC)C=C1CCCBr
InChIKey
InChIKey=RKUFKILZBXHESW-SNVBAGLBSA-N
Formula
C16H21BrF3NO3
Mass
412.247
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
Dimethoxybenzenes Phenylpropanes Phenoxy compounds Anisoles Alkyl aryl ethers Secondary carboxylic acid amides Organonitrogen compounds Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides Alkyl bromides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Amphetamine or derivatives - P-dimethoxybenzene - Dimethoxybenzene - Phenylpropane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organofluoride - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Alkyl halide - Alkyl fluoride - Alkyl bromide - Aromatic homomonocyclic 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