Compound Identification
SMILES
NCC(CCC1=CC=CC=C1OCC1=CC=CC=C1)N[C@@H](CC(O)=O)CC1=CNC2=CC=CC=C12
InChIKey
InChIKey=XDLMQUYUSFKXPH-WUBHUQEYSA-N
Formula
C29H33N3O3
Mass
471.601
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
Beta amino acids and derivatives 3-alkylindoles Phenoxy compounds Phenol ethers Alkyl aryl ethers Amino fatty acids Aralkylamines Substituted pyrroles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carboxylic acids Organic oxides Monoalkylamines Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Beta amino acid or derivatives - Phenylbutylamine - 3-alkylindole - Indole - Indole or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Amino fatty acid - Aralkylamine - Substituted pyrrole - Fatty acyl - Heteroaromatic compound - Pyrrole - Amino acid - Amino acid or derivatives - Organoheterocyclic compound - Secondary amine - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Secondary aliphatic amine - Ether - Primary amine - Organic oxygen compound - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Amine - Organooxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic 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