chempirical

Eutylone

C13H17NO3CAS 802855-66-9235.28 g/mol

Open in Covalent MOL file
NHOOO
AcetalEtherKetoneSecondary amine

Properties

Molecular formula
C13H17NO3
Molar mass
235.28 g/mol
Exact mass
235.1208 Da
logP
1.99Crippen estimate
Polar surface area
47.6 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
5

Identifiers

CAS number
802855-66-9
SMILES
CCNC(CC)C(=O)c1ccc2c(c1)OCO2
InChIKey
YERSNXHEOIYEGX-UHFFFAOYSA-N
InChI
InChI=1S/C13H17NO3/c1-3-10(14-4-2)13(15)9-5-6-11-12(7-9)17-8-16-11/h5-7,10,14H,3-4,8H2,1-2H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names
  • 1-Butanone, 1-(1,3-benzodioxol-5-yl)-2-(ethylamino)-
  • Butyrophenone, 2-(ethylamino)-3′,4′-(methylenedioxy)-
  • 1-(1,3-Benzodioxol-5-yl)-2-(ethylamino)-1-butanone
  • Bk-EBDB
  • β-Keto-1,3-benzodioxolyl-N-ethylbutanamine
  • 1-(2H-1,3-Benzodioxol-5-yl)-2-(ethylamino)butan-1-one

Work with Eutylone

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

Similar compounds

Methylone186028-79-555 % similar 3,4-Methylenedioxypropiophenone28281-49-449 % similar 5-Acetyl-1,3-benzodioxole3162-29-648 % similar 1-(1,3-Benzodioxol-5-yl)-2-bromoethanone40288-65-143 % similar N-Ethyl-1,3-benzodioxol-5-amine32953-14-342 % similar 3,4-Diethoxybenzoic acid5409-31-439 % similar 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)ethanone2879-20-138 % similar 3,4-Methylenedioxyphenylpropan-2-one4676-39-537 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-1-Cbz-3-hydroxymethylpyrrolidine124391-76-0 4-(Phenylmethyl)-2-morpholinecarboxylic acid methyl ester135782-29-5 N-Benzoyl-dl-leucine17966-67-5 N-(Benzyloxycarbonyl)-4-hydroxypiperidine95798-23-5

Elsewhere

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