chempirical

3,5-Dimethoxyaniline

C8H11NO2CAS 10272-07-8153.18 g/mol

Open in Covalent MOL file
ONH2O
EtherPrimary amine

Properties

Molecular formula
C8H11NO2
Molar mass
153.18 g/mol
Exact mass
153.0790 Da
Melting point
46 °C
Boiling point
178 °C (at 20 Torr)
logP
1.29Crippen estimate
Polar surface area
44.5 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Identifiers

CAS number
10272-07-8
SMILES
COc1cc(N)cc(OC)c1
InChIKey
WNRGWPVJGDABME-UHFFFAOYSA-N
InChI
InChI=1S/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H3

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Names and synonyms

6 names
  • Benzenamine, 3,5-dimethoxy-
  • Aniline, 3,5-dimethoxy-
  • 3,5-Dimethoxybenzenamine
  • 3,5-Dimethoxyphenylamine
  • 3,5-Dimethoxybenzeneamine
  • 3,5-Bis(methyloxy)aniline

Work with 3,5-Dimethoxyaniline

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

1,3,5-Trimethoxybenzene621-23-867 % similar 3-Methoxy-5-(trifluoromethyl)aniline349-55-361 % similar M-Anisidine536-90-360 % similar P-Anisidine104-94-957 % similar 3-Methoxy-5-nitrobenzenamine586-10-755 % similar 3,5-Dimethoxytoluene4179-19-552 % similar 3,4,5-Trimethoxyaniline24313-88-052 % similar 4-Methoxyaniline hydrochloride20265-97-850 % similar

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

Same formula

2,5-Dimethoxyaniline102-56-7 Octopamine104-14-3 Hexahydro-1H-isoindole-1,3(2H)-dione1444-94-6 (αR)-α-Amino-1,4-cyclohexadiene-1-acetic acid26774-88-9 2,4-Dimethoxyaniline2735-04-8 Ethyl 5-methylpyrrole-2-carboxylate3284-51-3 Ethyl 4-methyl-1H-pyrrole-2-carboxylate40611-85-6 Dopamine51-61-6

Elsewhere

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