Compound Identification
SMILES
CC1=C(CCCCN2C=CN=C2CO)C=CC(OCC2=COC(\C=C\C3=CC=C(C=C3)C(F)(F)F)=N2)=C1
InChIKey
InChIKey=XLEURAIWBCPFBF-KPKJPENVSA-N
Formula
C28H28F3N3O3
Mass
511.545
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
Trifluoromethylbenzenes Styrenes Phenoxy compounds Phenol ethers Toluenes 2,4-disubstituted oxazoles Alkyl aryl ethers N-substituted imidazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Primary alcohols Aromatic alcohols Alkyl fluorides Organonitrogen compounds Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenylbutylamine - Trifluoromethylbenzene - Phenoxy compound - Phenol ether - Styrene - 2,4-disubstituted 1,3-oxazole - Alkyl aryl ether - Toluene - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Oxazole - Ether - Oxacycle - Azacycle - Organoheterocyclic compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organopnictogen compound - Alkyl halide - Organic oxygen compound - Alkyl fluoride - Aromatic alcohol - Primary alcohol - 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