Compound Identification
SMILES
CC1=C(CCCCN2C=CN=N2)C=CC(NCC2=CO\C(N2)=C2/C=C3C=C(F)C=CC3=N2)=C1
InChIKey
InChIKey=SYTQEPZLUWREHC-OCOZRVBESA-N
Formula
C25H25FN6O
Mass
444.514
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
Indoles and derivatives Phenylalkylamines Aniline and substituted anilines Aminotoluenes Secondary alkylarylamines Aryl fluorides Triazoles Oxazolines Heteroaromatic compounds Oxacyclic compounds Enamines Azacyclic compounds Organooxygen compounds Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Indole or derivatives - Aniline or substituted anilines - Phenylalkylamine - Aminotoluene - Secondary aliphatic/aromatic amine - Toluene - Aryl halide - Aryl fluoride - Heteroaromatic compound - Azole - Oxazoline - 1,2,3-triazole - Oxacycle - Enamine - Secondary amine - Azacycle - Organoheterocyclic compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - Amine - 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