Compound Identification
SMILES
C[C@@H](N)CC1=C(C=C(CCB(O)O)C=C1)C(O)=O
InChIKey
InChIKey=CQRDNKDEGQTCQD-MRVPVSSYSA-N
Formula
C12H18BNO4
Mass
251.09
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
Phenylpropanes Benzoic acids Benzoyl derivatives Aralkylamines Boronic acids Amino acids Organic metalloid salts Carboxylic acids Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylboranes Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Amphetamine or derivatives - Benzoic acid or derivatives - Benzoic acid - Phenylpropane - Benzoyl - Aralkylamine - Amino acid or derivatives - Boronic acid derivative - Amino acid - Boronic acid - Organic metalloid salt - Carboxylic acid derivative - Carboxylic acid - Amine - Organonitrogen compound - Organic metalloid moeity - Primary aliphatic amine - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Alkylborane - Monoalkylborane - Organic oxygen compound - Organic nitrogen 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