chempirical

3-Methoxy-5-nitrobenzenamine

C7H8N2O3CAS 586-10-7168.15 g/mol

Open in Covalent MOL file
ONH2N+OO−
EtherNitroPrimary amine

Properties

Molecular formula
C7H8N2O3
Molar mass
168.15 g/mol
Exact mass
168.0535 Da
Melting point
117–119 °C
logP
1.19Crippen estimate
Polar surface area
78.4 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
2

Identifiers

CAS number
586-10-7
SMILES
COc1cc(N)cc([N+](=O)[O-])c1
InChIKey
BGWUXZLHDLNYHW-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N2O3/c1-12-7-3-5(8)2-6(4-7)9(10)11/h2-4H,8H2,1H3

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Names and synonyms

5 names
  • Benzenamine, 3-methoxy-5-nitro-
  • m-Anisidine, 5-nitro-
  • 3-Amino-5-nitroanisole
  • 3-Methoxy-5-nitroaniline
  • 3-Methoxy-5-nitrophenylamine

Work with 3-Methoxy-5-nitrobenzenamine

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-Methoxy-3,5-dinitrobenzene5327-44-674 % similar 3,5-Dinitroaniline618-87-165 % similar 1-Bromo-3-methoxy-5-nitrobenzene16618-67-062 % similar 3-Nitroanisole555-03-357 % similar 3,5-Dimethoxyaniline10272-07-855 % similar 4-Nitroanisole100-17-454 % similar 3-Fluoro-5-nitrobenzenamine2369-12-254 % similar Trinitroanisole606-35-951 % similar

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

Same formula

2-Methoxy-6-methyl-3-nitropyridine112163-03-8 2,4-Dihydroxybenzhydrazide13221-86-8 3,5-Dimethyl-4-nitropyridine 1-oxide14248-66-9 5-Methoxy-2-nitrobenzenamine16133-49-6 2-Methoxy-6-nitrobenzenamine16554-45-3 4-Ethoxy-3-nitropyridine1796-84-5 5-Amino-2-methoxy-4-pyridinecarboxylic acid183741-91-5 2-Ethoxy-5-nitropyridine31594-45-3

Elsewhere

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