Compound Identification
SMILES
CC(C)CN(C[C@@H](O)[C@H](CC1=CC=CC=C1)NC(=O)COC1=C(C)C=CC=C1C)S(=O)(=O)C1=CC2=C(C=C1)N=C(S2)N(C)CCN1CCOCC1
InChIKey
InChIKey=IHMFVOMXHJTAMA-SZAHLOSFSA-N
Formula
C38H51N5O6S2
Mass
737.98
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
Amphetamines and derivatives Benzothiazoles m-Xylenes Phenoxy compounds Phenol ethers Dialkylarylamines Alkyl aryl ethers 2-amino-1,3-thiazoles Organosulfonamides Morpholines Aminosulfonyl compounds Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Secondary alcohols Amino acids and derivatives Oxacyclic compounds Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylbutylamine - Amphetamine or derivatives - 1,3-benzothiazole - Phenol ether - Dialkylarylamine - Phenoxy compound - Xylene - M-xylene - Alkyl aryl ether - Organosulfonic acid amide - Oxazinane - Morpholine - 1,3-thiazol-2-amine - Azole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Thiazole - Aminosulfonyl compound - Secondary alcohol - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Secondary carboxylic acid amide - Carboxamide group - Oxacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Azacycle - Organoheterocyclic compound - Amine - Organic nitrogen compound - Alcohol - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organopnictogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur 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