1-(5-amino-2,3-dimethoxyphenyl)ethanone

C10H13NO3 — CID 142498186

IUPAC1-(5-amino-2,3-dimethoxyphenyl)ethanone
SMILESCOc1cc(N)cc(C(C)=O)c1OC
InChIInChI=1S/C10H13NO3/c1-6(12)8-4-7(11)5-9(13-2)10(8)14-3/h4-5H,11H2,1-3H3
InChIKeyRHHXIVHHJSVYIA-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.49
Rot. Bonds3

About 1-(5-amino-2,3-dimethoxyphenyl)ethanone

1-(5-amino-2,3-dimethoxyphenyl)ethanone (PubChem CID 142498186) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 1-(5-amino-2,3-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2,3-dimethoxyphenyl)ethanone
PubChem CID142498186
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name1-(5-amino-2,3-dimethoxyphenyl)ethanone
SMILESCOc1cc(N)cc(C(C)=O)c1OC
InChIInChI=1S/C10H13NO3/c1-6(12)8-4-7(11)5-9(13-2)10(8)14-3/h4-5H,11H2,1-3H3
InChIKeyRHHXIVHHJSVYIA-UHFFFAOYSA-N
XLogP1.49
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-2-fluoro-3-methoxyphenyl)ethanone
CID 171018480
1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
CID 144776470
1-(5-amino-2-methoxy-3-nitrophenyl)ethanone
CID 131574213
(5-amino-2,3-dimethoxyphenyl)-piperidin-1-ylmethanone
CID 82183619
(5-amino-2,3-dimethoxyphenyl)-(azepan-1-yl)methanone
CID 82183793
5-amino-N,N-bis(2-hydroxyethyl)-2,3-dimethoxybenzamide
CID 82183920
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
5-amino-2-hydroxy-3-methoxybenzoic acid
CID 50883012
methyl 5-amino-2-hydroxy-3-methoxybenzoate;propane
CID 169174711
1-(4-amino-2-fluoro-6-methoxyphenyl)ethanone
CID 171018286
acetic acid;5-amino-2,3-dimethoxybenzoic acid;3,4-dimethoxy-5-methylbenzenethiol;2,3-dimethoxy-5-sulfanylbenzoic acid;ethane;4-methoxyaniline;bis(4-methoxybenzenethiol);methoxymethane
CID 161122008
1-(4-amino-2-hydroxy-5-methoxyphenyl)ethanone
CID 131302310

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2,3-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(5-amino-2,3-dimethoxyphenyl)ethanone (CID 142498186) is 1-(5-amino-2,3-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(5-amino-2,3-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(5-amino-2,3-dimethoxyphenyl)ethanone is COc1cc(N)cc(C(C)=O)c1OC.
What is the InChIKey of 1-(5-amino-2,3-dimethoxyphenyl)ethanone?
The InChIKey is RHHXIVHHJSVYIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6(12)8-4-7(11)5-9(13-2)10(8)14-3/h4-5H,11H2,1-3H3.
What are the key properties of 1-(5-amino-2,3-dimethoxyphenyl)ethanone?
1-(5-amino-2,3-dimethoxyphenyl)ethanone has a molecular weight of 195.22 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2,3-dimethoxyphenyl)ethanone is sourced from PubChem (CID 142498186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).