Ethanone, 2-(dimethylamino)-1-phenyl-

Details

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Internal ID f9c993db-9002-4025-bf33-5fab4a5007b8
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Phenylketones > Alkyl-phenylketones
IUPAC Name 2-(dimethylamino)-1-phenylethanone
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H13NO/c1-11(2)8-10(12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key UMLWXYJZDNNBTD-UHFFFAOYSA-N
Popularity 12 references in papers

Physical and Chemical Properties

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Molecular Formula C10H13NO
Molecular Weight 163.22 g/mol
Exact Mass 163.099714038 g/mol
Topological Polar Surface Area (TPSA) 20.30 Ų
XlogP 1.70

Synonyms

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Ethanone, 2-(dimethylamino)-1-phenyl-
2-(Dimethylamino)acetophenone
2-(Dimethylamino)-1-phenylethanone
Acetophenone, 2-(dimethylamino)-
.alpha.-(Dimethylamino)acetophenone
[(Dimethylamino)acetyl]benzene
alpha-(Dimethylamino)acetophenone
DTXSID70186840
NSC 129395
((Dimethylamino)acetyl)benzene
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Ethanone, 2-(dimethylamino)-1-phenyl-

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL221 P23219 Cyclooxygenase-1 96.01% 90.17%
CHEMBL2581 P07339 Cathepsin D 92.49% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.79% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.19% 95.56%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.59% 100.00%
CHEMBL5028 O14672 ADAM10 80.39% 97.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 137890
LOTUS LTS0098389
wikiData Q83058245