Compound Identification
SMILES
COC(=O)CC(=O)C[C@@H](O)[C@H](CC1=CC=CC=C1)N(CC1=CC=CC=C1)CC1=CC=CC=C1
InChIKey
InChIKey=XMVWHKGHLSLZDU-RRPNLBNLSA-N
Formula
C28H31NO4
Mass
445.559
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
Benzylamines Phenylmethylamines Aralkylamines Beta-keto acids and derivatives Fatty acid methyl esters 1,3-dicarbonyl compounds Beta-hydroxy ketones Gamma-amino ketones Methyl esters 1,2-aminoalcohols Secondary alcohols Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Aldehydes Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Amphetamine or derivatives - Benzylamine - Phenylmethylamine - Beta-keto acid - Fatty acid ester - Aralkylamine - Fatty acid methyl ester - Beta-hydroxy ketone - Fatty acyl - Gamma-aminoketone - 1,3-dicarbonyl compound - Keto acid - Methyl ester - Tertiary amine - Secondary alcohol - Amino acid or derivatives - Ketone - Tertiary aliphatic amine - 1,2-aminoalcohol - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Amine - Aldehyde - Alcohol - 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