Compound Identification
SMILES
COC1=CC(CN2CCC(CCN3CCC(CC3)N(CC3=COC=C3)C3=NC4=CC=CC=C4N3)(CC3=CC=C(F)C=C3)C2=O)=CC(OC)=C1OC
InChIKey
InChIKey=BLXJHNRTRAGXON-UHFFFAOYSA-N
Formula
C40H46FN5O5
Mass
695.836
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
Benzimidazoles Dialkylarylamines Anisoles Methoxybenzenes Phenoxy compounds Aralkylamines Fluorobenzenes Alkyl aryl ethers N-alkylpyrrolidines Piperidines Pyrrolidine-2-ones Aminoimidazoles Aryl fluorides Heteroaromatic compounds Furans Tertiary carboxylic acid amides Lactams Trialkylamines Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Benzimidazole - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Dialkylarylamine - Alkyl aryl ether - Halobenzene - Fluorobenzene - Aralkylamine - Aminoimidazole - Aryl fluoride - Aryl halide - Piperidine - Pyrrolidone - 2-pyrrolidone - N-alkylpyrrolidine - Pyrrolidine - Furan - Imidazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Azole - Lactam - Amino acid or derivatives - Carboxamide group - Tertiary amine - Tertiary aliphatic amine - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Ether - Carbonyl group - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - 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