N-Ethyl-1,3-benzodioxol-5-amine

C₉H₁₁NO₂CAS 32953-14-3165.19 g/mol

Open in Covalent MOL file

Acetal Ether Secondary amine

Properties

Molecular formula: C₉H₁₁NO₂
Molar mass: 165.19 g/mol
Exact mass: 165.0790 Da
Boiling point: 104 °C (at 2 Torr)
logP: 1.85Crippen estimate
Polar surface area: 30.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Identifiers

CAS number

32953-14-3

SMILES

CCNc1ccc2c(c1)OCO2

InChIKey

FPKGTVXPIULTIP-UHFFFAOYSA-N

InChI

InChI=1S/C9H11NO2/c1-2-10-7-3-4-8-9(5-7)12-6-11-8/h3-5,10H,2,6H2,1H3

Weigh it out

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

Names and synonyms

5 names

1,3-Benzodioxol-5-amine, N-ethyl-
Aniline, N-ethyl-3,4-(methylenedioxy)-
3,4-Methylenedioxy-N-ethylaniline
N-Ethyl-3,4-(methylenedioxy)aniline
N-(1,3-Benzodioxol-5-yl)ethylamine

Work with N-Ethyl-1,3-benzodioxol-5-amine

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

5-[(2-Hydroxyethyl)amino]-1,3-benzodioxol81329-90-059 % similar 5-Methyl-1,3-benzodioxole7145-99-547 % similar N-Ethyl-4-methylaniline622-57-144 % similar N-Ethyl-M-toluidine102-27-243 % similar 4-Chloro-N-ethylbenzenamine13519-75-042 % similar Benzodioxol-5-amine14268-66-742 % similar 5-Bromo-1,3-benzodioxole2635-13-442 % similar Sesamol533-31-342 % similar

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

Same formula

Ethyl N-phenylcarbamate101-99-5 Metolcarb1129-41-5 2-Amino-2-(4-methylphenyl)acetic acid13227-01-5 (+)-3-Amino-3-phenylpropanoic acid13921-90-9 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6 N-(4-Hydroxyphenyl)propanamide1693-37-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook