chempirical

Ethyl 2-[4-(dimethylamino)phenyl]acetate

C12H17NO2CAS 17078-29-4207.27 g/mol

Open in Covalent MOL file
OON
EsterTertiary amine

Properties

Molecular formula
C12H17NO2
Molar mass
207.27 g/mol
Exact mass
207.1259 Da
logP
1.86Crippen estimate
Polar surface area
29.5 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
4

Identifiers

CAS number
17078-29-4
SMILES
CCOC(=O)CC1=CC=C(C=C1)N(C)C
InChIKey
AYHIIZSBWKSPJI-UHFFFAOYSA-N
InChI
InChI=1S/C12H17NO2/c1-4-15-12(14)9-10-5-7-11(8-6-10)13(2)3/h5-8H,4,9H2,1-3H3

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Names and synonyms

3 names
  • Benzeneacetic acid, 4-(dimethylamino)-, ethyl ester
  • 4-(Dimethylamino)benzeneacetic acid ethyl ester
  • Ethyl p-dimethylaminophenylacetate

Work with Ethyl 2-[4-(dimethylamino)phenyl]acetate

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

p-Chlorophenylacetic acid ethyl ester14062-24-967 % similar Ethyl p-tolylacetate14062-19-264 % similar Ethyl phenylacetate101-97-363 % similar Ethyl 2-(4-bromophenyl)acetate14062-25-062 % similar Ethyl 4-hydroxyphenylacetate17138-28-262 % similar Ethyl p-methoxyphenylacetate14062-18-161 % similar Ethyl 4-pyridineacetate54401-85-359 % similar Ethyl 4-(dimethylamino)benzoate10287-53-358 % similar

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

Same formula

N-Ethyl-N-phenyl-β-alanine methyl ester21608-06-0 4-[Ethyl(2-hydroxyethyl)amino]-2-methylbenzaldehyde21850-52-2 N-(Phenylmethyl)-β-alanine ethyl ester23583-21-3 Hexyl nicotinate23597-82-2 Promecarb2631-37-0 Ciclopirox29342-05-0 Fenobucarb3766-81-2 4-(Phenylmethyl)-2-morpholinemethanol40987-24-4

Elsewhere

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