Compound Identification
SMILES
COC(=O)[C@@](C)(N)CC1=CC(OC)=C(OC)C=C1
InChIKey
InChIKey=PICGBRAYRQJNGT-ZDUSSCGKSA-N
Formula
C13H19NO4
Mass
253.298
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Phenethylamines
- Level 5 Amphetamines and derivatives
-
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 Alpha amino acids and derivatives Phenylpropanes Phenoxy compounds Anisoles Fatty acid esters Aralkylamines Alkyl aryl ethers Methyl esters Monocarboxylic acids and derivatives Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Dimethoxybenzene - Alpha-amino acid or derivatives - O-dimethoxybenzene - Amphetamine or derivatives - Phenylpropane - Phenol ether - Phenoxy compound - Methoxybenzene - Anisole - Aralkylamine - Alkyl aryl ether - Fatty acid ester - Fatty acyl - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Ether - Organic nitrogen compound - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Primary amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - 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