chempirical

2'-Amino-3'-methyl-4'-methoxyacetophenone

C10H13NO2CAS 912347-94-5179.22 g/mol

Open in Covalent MOL file
H2NOO
EtherKetonePrimary amine

Properties

Molecular formula
C10H13NO2
Molar mass
179.22 g/mol
Exact mass
179.0946 Da
logP
1.79Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
912347-94-5
SMILES
CC1=C(C=CC(=C1N)C(=O)C)OC
InChIKey
VXBGCEDOGYNWHE-UHFFFAOYSA-N
InChI
InChI=1S/C10H13NO2/c1-6-9(13-3)5-4-8(7(2)12)10(6)11/h4-5H,11H2,1-3H3

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Names and synonyms

1 names
  • 2-Methyl-3-amino-4-acetylanisole

Work with 2'-Amino-3'-methyl-4'-methoxyacetophenone

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

2′,3′,4′-Trimethoxyacetophenone13909-73-457 % similar 2'-Amino-4',5'-dimethoxyacetophenone4101-30-854 % similar 2,3-Dihydroxy-4-methoxyacetophenone708-53-254 % similar 1-(2-Amino-4-methoxyphenyl)ethan-1-one42465-53-253 % similar 2′-Methoxyacetophenone579-74-851 % similar 2',5'-Dimethoxyacetophenone1201-38-351 % similar 2′,4′-Dimethoxyacetophenone829-20-951 % similar 1-(2-Hydroxy-3,4-dimethoxyphenyl)ethan-1-one5396-18-951 % similar

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

Same formula

Methyl N,N-dimethylanthranilate10072-05-6 Dl-homophenylalanine1012-05-1 Phenibut1078-21-3 DL-α-Methylphenylalanine1132-26-9 3-Methylphenylalanine114926-37-3 3-Methyl-D-phenylalanine114926-39-5 4-[(2-Hydroxyethyl)(methyl)amino]benzaldehyde1201-91-8 Propham122-42-9

Elsewhere

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