2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone

C11H15NO2 — CID 82281637

IUPAC2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
SMILESCOc1ccc(C(=O)CN)c(C)c1C
InChIInChI=1S/C11H15NO2/c1-7-8(2)11(14-3)5-4-9(7)10(13)6-12/h4-5H,6,12H2,1-3H3
InChIKeyMSLFHKCUFNWHPM-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.45
Rot. Bonds3

About 2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone

2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone (PubChem CID 82281637) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone.

Molecular Properties

Compound Name2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
PubChem CID82281637
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone
SMILESCOc1ccc(C(=O)CN)c(C)c1C
InChIInChI=1S/C11H15NO2/c1-7-8(2)11(14-3)5-4-9(7)10(13)6-12/h4-5H,6,12H2,1-3H3
InChIKeyMSLFHKCUFNWHPM-UHFFFAOYSA-N
XLogP1.45
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 82053664
3-amino-1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 116915741
3-(4-methoxy-2,3-dimethylphenyl)-3-oxopropanal
CID 82470279
1-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-one
CID 82494135
ethyl 5-(4-methoxy-2,3-dimethylphenyl)-5-oxopentanoate;methanamine
CID 143136874
2-amino-1-(4-bromo-2,3-dimethylphenyl)ethanone
CID 84801502
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-[[2-(4-methoxy-2,3-dimethylphenyl)-2-oxoethyl]amino]propanoic acid
CID 112513642
N-(3-amino-2-methylpropyl)-4-methoxy-2,3-dimethylbenzamide
CID 115271620
2-(cyclopentylamino)-1-(4-methoxy-2,3-dimethylphenyl)ethanone
CID 96677935
methyl 2-(4-methoxy-2,3-dimethylbenzoyl)butanoate
CID 116923616
1-(2-hydroxy-4-methoxy-3-methylphenyl)butan-1-one
CID 13287046

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone?
The IUPAC name of 2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone (CID 82281637) is 2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone.
What is the SMILES notation for 2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone?
The canonical SMILES for 2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone is COc1ccc(C(=O)CN)c(C)c1C.
What is the InChIKey of 2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone?
The InChIKey is MSLFHKCUFNWHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7-8(2)11(14-3)5-4-9(7)10(13)6-12/h4-5H,6,12H2,1-3H3.
What are the key properties of 2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone?
2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-methoxy-2,3-dimethylphenyl)ethanone is sourced from PubChem (CID 82281637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).