Compound Identification
SMILES
COC1=C(C[NH+]2CCN(CC2)C(=O)[C@@H](C)OC2=CC=C(C=C2)C#N)C=C(F)C=C1
InChIKey
InChIKey=MNIFLTIROAZFEM-MRXNPFEDSA-O
Formula
C22H25FN3O3
Mass
398.458
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
Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Benzonitriles Alkyl aryl ethers N-alkylpiperazines Aralkylamines Fluorobenzenes Aryl fluorides Tertiary carboxylic acid amides Quaternary ammonium salts Trialkylamines Amino acids and derivatives Nitriles Azacyclic compounds Organofluorides Carbonyl compounds Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Phenoxy compound - Anisole - Phenylmethylamine - Phenol ether - Methoxybenzene - Benzylamine - Benzonitrile - Alkyl aryl ether - Fluorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Aryl fluoride - Piperazine - 1,4-diazinane - Aryl halide - Tertiary carboxylic acid amide - Quaternary ammonium salt - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Organoheterocyclic compound - Nitrile - Carboxylic acid derivative - Ether - Azacycle - Carbonitrile - Organic nitrogen compound - Amine - Organohalogen compound - Organofluoride - Organonitrogen compound - Carbonyl group - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organic oxygen compound - Organic cation - 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