Compound Identification
SMILES
COC1=C(NC2=NC3=C(C=CN3)C(NC3=C(C(N)=O)C(F)=CC=C3)=N2)C=C(CCCN(C)C)C=C1
InChIKey
InChIKey=IHYLDWZRFWDOLG-UHFFFAOYSA-N
Formula
C25H28FN7O2
Mass
477.544
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Phenylpropylamines
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Phenylpropylamines
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpropylamines
Alternative Parents
2-halobenzoic acids and derivatives Pyrrolo[2,3-d]pyrimidines Benzamides Methoxyanilines Anisoles Phenoxy compounds Benzoyl derivatives Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines Fluorobenzenes Aryl fluorides Imidolactams Vinylogous amides Vinylogous halides Pyrroles Heteroaromatic compounds Primary carboxylic acid amides Trialkylamines Amino acids and derivatives Azacyclic compounds Organic oxides Organofluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Phenylpropylamine - Pyrrolopyrimidine - Methoxyaniline - Benzoic acid or derivatives - Benzamide - Pyrrolo[2,3-d]pyrimidine - Methoxybenzene - Aniline or substituted anilines - Benzoyl - Phenoxy compound - Anisole - Phenol ether - Alkyl aryl ether - Aralkylamine - Fluorobenzene - Halobenzene - Aminopyrimidine - Aryl fluoride - Aryl halide - Imidolactam - Pyrimidine - Vinylogous halide - Pyrrole - Heteroaromatic compound - Vinylogous amide - Primary carboxylic acid amide - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Organoheterocyclic compound - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organohalogen compound - Hydrocarbon derivative - Amine - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organofluoride - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpropylamines. These are compounds containing a phenylpropylamine moiety, which consists of a phenyl group substituted at the third carbon by an propan-1-amine.
External Descriptors
Not available