2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone

C13H19NO3 — CID 104552748

IUPAC2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN(C)C(C)CO
InChIInChI=1S/C13H19NO3/c1-10(9-15)14(2)8-12(16)11-6-4-5-7-13(11)17-3/h4-7,10,15H,8-9H2,1-3H3
InChIKeySFVGQEQYALYFFH-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.19
Rot. Bonds6

About 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone

2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone (PubChem CID 104552748) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone
PubChem CID104552748
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1C(=O)CN(C)C(C)CO
InChIInChI=1S/C13H19NO3/c1-10(9-15)14(2)8-12(16)11-6-4-5-7-13(11)17-3/h4-7,10,15H,8-9H2,1-3H3
InChIKeySFVGQEQYALYFFH-UHFFFAOYSA-N
XLogP1.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-fluorophenyl)-2-[1-hydroxypropan-2-yl(methyl)amino]ethanone
CID 104552726
2-[3-hydroxypropyl(propan-2-yl)amino]-1-(2-methoxyphenyl)ethanone
CID 62030923
2-[[2-(2-methoxyphenyl)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 60681671
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
1-(2-ethoxyphenyl)-2-[methyl(3-methylbutan-2-yl)amino]ethanone
CID 43796755
2-fluoro-1-(2-methoxyphenyl)ethanone
CID 11816076
N-formyl-N-[2-(2-methoxyphenyl)-2-oxoethyl]formamide
CID 86593207
2-[2-ethoxyethyl(methyl)amino]-1-(2-methoxyphenyl)ethanone
CID 81058182
2-[cyclopropyl(ethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 43794992
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-(2-methoxyphenyl)ethanone
CID 107481149
2-[cyclopropyl(2-methylpropyl)amino]-1-(2-methoxyphenyl)ethanone
CID 55001836
2-[2-[1-hydroxypropan-2-yl(methyl)amino]ethoxy]benzoic acid
CID 104552539

Frequently Asked Questions

What is the IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone?
The IUPAC name of 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone (CID 104552748) is 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone?
The canonical SMILES for 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone is COc1ccccc1C(=O)CN(C)C(C)CO.
What is the InChIKey of 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone?
The InChIKey is SFVGQEQYALYFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-10(9-15)14(2)8-12(16)11-6-4-5-7-13(11)17-3/h4-7,10,15H,8-9H2,1-3H3.
What are the key properties of 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone?
2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone has a molecular weight of 237.30 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-hydroxypropan-2-yl(methyl)amino]-1-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 104552748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).