chempirical

2,3-Dihydro-1,4-benzodioxin-6-methanamine

C9H11NO2CAS 17413-10-4165.19 g/mol

Open in Covalent MOL file
H2NOO
EtherPrimary amine

Properties

Molecular formula
C9H11NO2
Molar mass
165.19 g/mol
Exact mass
165.0790 Da
logP
0.92Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
17413-10-4
SMILES
NCc1ccc2c(c1)OCCO2
InChIKey
FUDYRLUSXBRPIA-UHFFFAOYSA-N
InChI
InChI=1S/C9H11NO2/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-2,5H,3-4,6,10H2

Weigh it out

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

Names and synonyms

10 names
  • 1,4-Benzodioxin-6-methanamine, 2,3-dihydro-
  • 1,4-Benzodioxan-6-methylamine
  • [(1,4-Benzodioxan-6-yl)methyl]amine
  • 6-Aminomethyl-2,3-dihydro-1,4-benzodioxin
  • 2,3-Dihydrobenzo[1,4]-dioxin-6-methanamine
  • [(2,3-Dihydrobenzo[1,4]dioxin-6-yl)methyl]amine
  • 1-(2,3-Dihydro-1,4-benzodioxin-6-yl)methanamine
  • (2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)methanamine
  • (2,3-Dihydro-1,4-benzodioxin-6-yl)methanamine
  • 2,3-Dihydro-1,4-benzodioxin-6-ylmethanamine

Work with 2,3-Dihydro-1,4-benzodioxin-6-methanamine

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-methanamine2620-50-077 % similar Veratrylamine5763-61-157 % similar 1,4-Benzodioxan-6-amine22013-33-852 % similar 3,4-Diethoxybenzeneethanamine61381-04-250 % similar 6-Bromo-1,4-benzodioxane52287-51-148 % similar P-Xylylenediamine539-48-046 % similar 3-Chloro-4-methoxybenzenemethanamine115514-77-746 % similar 3,4-Methylenedioxy-β-phenylethylamine hydrochloride1653-64-146 % 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 2-Amino-3,5-dimethylbenzoic acid14438-32-5 1,3-Benzodioxole-5-ethanamine1484-85-1 Dl-phenylalanine150-30-1 3-(3-Aminophenyl)propionic acid1664-54-6

Elsewhere

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