Compound Identification
SMILES
Cl.CCN(CCCl)CC1=CC=C(CCC(O)=O)C=C1
InChIKey
InChIKey=LFFRSKKYJFIVCF-UHFFFAOYSA-N
Formula
C14H21Cl2NO2
Mass
306.23
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Phenylpropanoids and polyketides
- Class Phenylpropanoic acids
-
Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Phenylpropanoic acids
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropanoic acids
Alternative Parents
Phenylmethylamines Benzylamines Aralkylamines Trialkylamines Amino acids Monocarboxylic acids and derivatives Carboxylic acids Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
3-phenylpropanoic-acid - Benzylamine - Phenylmethylamine - Aralkylamine - Monocyclic benzene moiety - Benzenoid - Amino acid - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Alkyl chloride - Alkyl halide - Amine - Hydrochloride - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropanoic acids. These are compounds with a structure containing a benzene ring conjugated to a propanoic acid.
External Descriptors
Not available