Compound Identification
SMILES
COC(=O)\C=C\C1(CC2=CC=CC=C2)CN(CCN1)C(O)=O
InChIKey
InChIKey=YXCMMCYAIQEESL-BQYQJAHWSA-N
Formula
C16H20N2O4
Mass
304.346
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
Piperazine carboxylic acids Fatty acid esters Aralkylamines Methyl esters Enoate esters Carbamic acids Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Amphetamine or derivatives - Piperazine-1-carboxylic acid - Aralkylamine - Fatty acid ester - Fatty acyl - 1,4-diazinane - Piperazine - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carbamic acid - Carbamic acid derivative - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Secondary aliphatic amine - Organoheterocyclic compound - Secondary amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Carbonyl group - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen 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