EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:167309 - 6-(dimethylamino)-4,4-diphenylheptan-3-one

ChEBI IDCHEBI:167309
ChEBI Name6-(dimethylamino)-4,4-diphenylheptan-3-one
Stars
DefinitionA ketone that is heptan-3-one substituted by a dimethylamino group at position 6 and two phenyl groups at position 4.
Last Modified22 January 2021
SubmitterAdnan
DownloadsMolfile
FormulaC21H27NO
Net Charge0
Average Mass309.453
Monoisotopic Mass309.20926
SMILESCCC(=O)C(CC(C)N(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H27NO/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17H,5,16H2,1-4H3
InChIKeyUSSIQXCVUWKGNF-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309) has functional parent heptan-3-one (CHEBI:50139)
6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309) is a benzenes (CHEBI:22712)
6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309) is a diarylmethane (CHEBI:51614)
6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309) is a ketone (CHEBI:17087)
6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309) is a tertiary amino compound (CHEBI:50996)
Incoming Relation(s)
dextromethadone (CHEBI:167308) is a 6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309)
levomethadone (CHEBI:136003) is a 6-(dimethylamino)-4,4-diphenylheptan-3-one (CHEBI:167309)
IUPAC Name 
6-(dimethylamino)-4,4-diphenylheptan-3-one
Synonym  Source
6-(dimethylamino)-4,4-diphenyl-3-heptanoneChEBI