chempirical

3,4-Diethoxybenzeneethanamine

C12H19NO2CAS 61381-04-2209.29 g/mol

Open in Covalent MOL file
ONH2O
EtherPrimary amine

Properties

Molecular formula
C12H19NO2
Molar mass
209.29 g/mol
Exact mass
209.1416 Da
Density
1.0366 g/mL (at 25 °C)
Boiling point
162 °C (at 13 Torr)
logP
1.99Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
6

Identifiers

CAS number
61381-04-2
SMILES
CCOc1ccc(CCN)cc1OCC
InChIKey
YOUNXJAJHCCMNK-UHFFFAOYSA-N
InChI
InChI=1S/C12H19NO2/c1-3-14-11-6-5-10(7-8-13)9-12(11)15-4-2/h5-6,9H,3-4,7-8,13H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Benzeneethanamine, 3,4-diethoxy-
  • Phenethylamine, 3,4-diethoxy-
  • 2-(3,4-Diethoxyphenyl)ethylamine
  • 3,4-Diethoxyphenethylamine
  • 2-(3,4-Diethoxyphenyl)ethanamine
  • 2-(3,4-Diethoxyphenyl)ethan-1-amine

Work with 3,4-Diethoxybenzeneethanamine

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

1,3-Benzodioxole-5-ethanamine1484-85-171 % similar 3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-165 % similar 3,4-Dimethoxyphenethylamine120-20-759 % similar 3,4-Diethoxybenzeneacetonitrile27472-21-554 % similar 2,3-Dihydro-1,4-benzodioxin-6-methanamine17413-10-450 % similar 3,4-Diethoxybenzeneacetic acid38464-04-950 % similar 3-Methoxytyramine554-52-949 % similar 1,3-Benzodioxole-5-methanamine2620-50-046 % similar

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

Same formula

Mirogabalin1138245-13-2 Octyl cyanoacrylate6701-17-3

Elsewhere

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