Compound Identification
SMILES
COC1=CC=C(C=C1)C1(CCCN(C)[C@H](C)C(O)=O)CCC2=C1C=CC(Cl)=C2
InChIKey
InChIKey=XFAQOSVVKXAJGW-ADRQNKRLSA-N
Formula
C23H28ClNO3
Mass
401.93
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylbutylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylbutylamines
Alternative Parents
Alanine and derivatives D-alpha-amino acids Indanes Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Aralkylamines Aryl chlorides Trialkylamines Amino acids Carboxylic acids Monocarboxylic acids and derivatives Organic oxides Carbonyl compounds Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Alanine or derivatives - Phenylbutylamine - Alpha-amino acid - Alpha-amino acid or derivatives - D-alpha-amino acid - Indane - Phenoxy compound - Anisole - Methoxybenzene - Phenol ether - Alkyl aryl ether - Aralkylamine - Aryl chloride - Aryl halide - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Amino acid - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Carboxylic acid - Organooxygen compound - Hydrocarbon derivative - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Amine - Organic oxide - Organonitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylbutylamines. These are compounds containing a phenylbutylamine moiety, which consists of a phenyl group substituted at the fourth carbon by an butan-1-amine.
External Descriptors
Not available