Compound Identification
SMILES
OC=O.FC1=CC=C(CNCC2=CN=C(NC3=CC(Cl)=CC=C3)N=C2C(F)(F)F)C=C1
InChIKey
InChIKey=BULYZQNCFUGEHS-UHFFFAOYSA-N
Formula
C20H17ClF4N4O2
Mass
456.83
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylmethylamines
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylmethylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylmethylamines
Alternative Parents
Aniline and substituted anilines Benzylamines Aminopyrimidines and derivatives Aralkylamines Fluorobenzenes Chlorobenzenes Aryl chlorides Aryl fluorides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Dialkylamines Carbonyl compounds Alkyl fluorides Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Not available
Substituents
Benzylamine - Aniline or substituted anilines - Phenylmethylamine - Aminopyrimidine - Aralkylamine - Chlorobenzene - Fluorobenzene - Halobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyrimidine - Heteroaromatic compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Monocarboxylic acid or derivatives - Organic nitrogen compound - Amine - Alkyl halide - Carbonyl group - Alkyl fluoride - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organic oxide - Organohalogen compound - Organochloride - Organofluoride - Organonitrogen compound - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
External Descriptors
Not available