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CHEBI:140905 - N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride

Default Structure
ChEBI IDCHEBI:140905
ChEBI NameN-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride
Stars
ASCII NameN-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride
DefinitionAn aromatic ether that is (2-phenoxyethyl)benzene which carries a 2-(dipropylamino)ethyl group at position 3 and a methoxy group at position 6. It is a potent and selective σ1 receptor antagonist.
Last Modified26 October 2018
SubmitterCeri
DownloadsMolfile
FormulaC23H33NO2.HCl
Net Charge0
Average Mass391.983
Monoisotopic Mass391.22781
SMILESCCCN(CCC)CCc1ccc(OC)c(OCCc2ccccc2)c1.[H]Cl
InChIInChI=1S/C23H33NO2.ClH/c1-4-15-24(16-5-2)17-13-21-11-12-22(25-3)23(19-21)26-18-14-20-9-7-6-8-10-20;/h6-12,19H,4-5,13-18H2,1-3H3;1H
InChIKeyZHGMDXSHODHWHV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
receptor modulator  A drug that acts as an antagonist, agonist, reverse agonist, or in some other fashion when interacting with cellular receptors.
antipsychotic agent  Antipsychotic drugs are agents that control agitated psychotic behaviour, alleviate acute psychotic states, reduce psychotic symptoms, and exert a quieting effect.
ChEBI Ontology
Outgoing Relation(s)
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride (CHEBI:140905) has role antipsychotic agent (CHEBI:35476)
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride (CHEBI:140905) has role receptor modulator (CHEBI:90710)
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride (CHEBI:140905) is a aromatic ether (CHEBI:35618)
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride (CHEBI:140905) is a hydrochloride (CHEBI:36807)
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride (CHEBI:140905) is a methoxybenzenes (CHEBI:51683)
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride (CHEBI:140905) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-{2-[4-methoxy-3-(2-phenylethoxy)phenyl]ethyl}-N-propylpropan-1-amine hydrochloride
Synonyms  Source
4-methoxy-3-(2-phenylethoxy)-N,N-dipropyl-benzeneethanamine hydrochlorideChEBI
N,N-dipropyl-2-[4-methoxy-3-(2-phenylethoxyl)phenyl]ethylamine hydrochlorideChEBI
N,N-dipropyl-2-(4-methoxy-3-(2-phenylethoxy)phenyl)ethylamine monohydrochlorideChemIDplus
NE 100SUBMITTER
NE-100SUBMITTER
Manual XrefsDatabases
EP0717990Patent
US5495046Patent
Registry NumbersSources
Reaxys:8296389Reaxys
CAS:149409-57-4ChemIDplus
CAS:149409-57-4SUBMITTER
Citations