3-(Dimethylamino)-1-(naphthalen-1-yl)propan-1-one

C15H17NOCAS 10320-49-7227.31 g/mol

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NO
KetoneTertiary amine

Properties

Molecular formula
C15H17NO
Molar mass
227.31 g/mol
Exact mass
227.1310 Da
logP
2.97Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
10320-49-7
SMILES
CN(C)CCC(=O)C1=CC=CC2=CC=CC=C21
InChIKey
CXDXSNWZXJVDMC-UHFFFAOYSA-N
InChI
InChI=1S/C15H17NO/c1-16(2)11-10-15(17)14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,10-11H2,1-2H3

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Names and synonyms

1 names
  • 3-(Dimethylamino)-1-(naphthalen-5-yl)propan-1-one

Work with 3-(Dimethylamino)-1-(naphthalen-1-yl)propan-1-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

3-Dimethylamino-1-(naphthalen-1-yl)propan-1-one hydrochloride5409-58-5Salt

Similar compounds

4-Naphthalen-1-yl-4-oxo-butyric acid4653-13-857 % similar β-Dimethylaminopropiophenone hydrochloride879-72-153 % similar Ethyl 3-(naphthalen-8-yl)-3-oxopropanoate62071-76-549 % similar 1-Acetylnaphthalene941-98-047 % similar 3-Dimethylamino-1-(2-thienyl)-1-propanone hydrochloride5424-47-545 % similar Ethyl 1-naphthalenecarboxylate3007-97-444 % similar 1-Naphthoic acid86-55-544 % similar 1-Naphthoyl chloride879-18-544 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

α-[(1S)-1-Aminoethyl]-α-phenylbenzenemethanol78603-91-5

Elsewhere

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