Compound Identification
SMILES
CCC1=CC(CNC[C@@H](O)[C@H](CC2=CC(F)=CC(F)=C2)NC(=O)C2=CC=C(C=C2)C2=NC=CO2)=CC=C1
InChIKey
InChIKey=QJSABXNTQMERCJ-RRPNLBNLSA-N
Formula
C29H29F2N3O3
Mass
505.566
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylbutylamines
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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
Phenyl-1,3-oxazoles Amphetamines and derivatives Benzamides Phenylmethylamines Benzylamines Benzoyl derivatives Aralkylamines Fluorobenzenes Aryl fluorides Heteroaromatic compounds Secondary carboxylic acid amides Secondary alcohols 1,2-aminoalcohols Amino acids and derivatives Oxacyclic compounds Dialkylamines Azacyclic compounds Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenyl-1,3-oxazole - Phenylbutylamine - Amphetamine or derivatives - Benzamide - Benzoic acid or derivatives - Benzylamine - Benzoyl - Phenylmethylamine - Halobenzene - Fluorobenzene - Aralkylamine - Aryl fluoride - Aryl halide - Heteroaromatic compound - Azole - Oxazole - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Secondary carboxylic acid amide - Secondary alcohol - Oxacycle - Azacycle - Organoheterocyclic compound - Secondary amine - Carboxylic acid derivative - Secondary aliphatic amine - Organic oxygen compound - Amine - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic oxide - Organohalogen compound - Aromatic heteromonocyclic 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