Compound Identification
SMILES
OC1CCN(CCC2=CC=C(C=C2)C([O-])=O)CC1
InChIKey
InChIKey=QCDGFRHBHHQYLI-UHFFFAOYSA-M
Formula
C14H18NO3
Mass
248.303
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted 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
Phenethylamines
Alternative Parents
Benzoic acids Benzoyl derivatives Aralkylamines Piperidines Trialkylamines Secondary alcohols Carboxylic acid salts Amino acids Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzoic acid or derivatives - Benzoic acid - Phenethylamine - Benzoyl - Aralkylamine - Piperidine - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Amino acid - Carboxylic acid salt - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Amine - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alcohol - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenethylamines. These are compounds containing a phenethylamine moiety, which consists of a phenyl group substituted at the second position by an ethan-1-amine.
External Descriptors
Not available