Compound Identification
SMILES
COC(=O)C(CCCN1CCN(CC2=C(F)C=CC=C2Cl)CC1)(C(C)C)C1=CC=C(Br)C=C1
InChIKey
InChIKey=GDOXQTWLLNAISZ-UHFFFAOYSA-N
Formula
C26H33BrClFN2O2
Mass
539.91
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
Phenylpropanes Phenylmethylamines Benzylamines Aralkylamines N-alkylpiperazines Fluorobenzenes Fatty acid esters Chlorobenzenes Bromobenzenes Aryl bromides Aryl chlorides Aryl fluorides Methyl esters Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Organochlorides Organofluorides Organic oxides Organobromides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - Phenylpropane - Phenylmethylamine - Benzylamine - Chlorobenzene - Bromobenzene - Halobenzene - Fatty acid ester - Fluorobenzene - N-alkylpiperazine - Aralkylamine - 1,4-diazinane - Aryl bromide - Aryl chloride - Aryl fluoride - Piperazine - Fatty acyl - Aryl halide - Methyl ester - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organochloride - Organobromide - Organohalogen compound - Organic oxygen 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