1-[3-(2-hydroxyethyl)anilino]propan-2-one

C11H15NO2 — CID 174381535

IUPAC1-[3-(2-hydroxyethyl)anilino]propan-2-one
SMILESCC(=O)CNc1cccc(CCO)c1
InChIInChI=1S/C11H15NO2/c1-9(14)8-12-11-4-2-3-10(7-11)5-6-13/h2-4,7,12-13H,5-6,8H2,1H3
InChIKeyPMXYEEMDVBPRDO-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.22
Rot. Bonds5

About 1-[3-(2-hydroxyethyl)anilino]propan-2-one

1-[3-(2-hydroxyethyl)anilino]propan-2-one (PubChem CID 174381535) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)anilino]propan-2-one.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)anilino]propan-2-one
PubChem CID174381535
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[3-(2-hydroxyethyl)anilino]propan-2-one
SMILESCC(=O)CNc1cccc(CCO)c1
InChIInChI=1S/C11H15NO2/c1-9(14)8-12-11-4-2-3-10(7-11)5-6-13/h2-4,7,12-13H,5-6,8H2,1H3
InChIKeyPMXYEEMDVBPRDO-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloroanilino)propan-2-one
CID 21364413
1-[4-(2-oxopropylamino)anilino]propan-2-one
CID 141317857
N-[3-(2-hydroxyethyl)phenyl]benzamide
CID 139896443
2-[3-(4-aminobutylamino)phenyl]ethanol
CID 83963103
1-(3-nitroanilino)propan-2-one
CID 141021170
1-[3-(2-phenylethylamino)phenyl]propan-2-one
CID 69386114
1-(4-aminophenyl)-3-[3-(2-hydroxyethyl)phenyl]urea
CID 66721682
N-(2,6-dimethylphenyl)-2-[3-(hydroxymethyl)anilino]acetamide
CID 110877923
2-[3-(aminomethyl)anilino]-N-methylacetamide
CID 144916665
4-bromo-N-[3-(2-hydroxyethyl)phenyl]benzenesulfonamide
CID 59571909
2-(3-ethylanilino)-N-propan-2-ylacetamide
CID 28584308
2-(3-bromophenyl)ethanol
CID 2734090

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)anilino]propan-2-one?
The IUPAC name of 1-[3-(2-hydroxyethyl)anilino]propan-2-one (CID 174381535) is 1-[3-(2-hydroxyethyl)anilino]propan-2-one.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)anilino]propan-2-one?
The canonical SMILES for 1-[3-(2-hydroxyethyl)anilino]propan-2-one is CC(=O)CNc1cccc(CCO)c1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)anilino]propan-2-one?
The InChIKey is PMXYEEMDVBPRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9(14)8-12-11-4-2-3-10(7-11)5-6-13/h2-4,7,12-13H,5-6,8H2,1H3.
What are the key properties of 1-[3-(2-hydroxyethyl)anilino]propan-2-one?
1-[3-(2-hydroxyethyl)anilino]propan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)anilino]propan-2-one is sourced from PubChem (CID 174381535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).