1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone

C11H15NO3 — CID 117298432

IUPAC1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C(O)CO)cc1
InChIInChI=1S/C11H15NO3/c1-12-6-10(14)8-2-4-9(5-3-8)11(15)7-13/h2-5,11-13,15H,6-7H2,1H3
InChIKeyDEIVLJRMDYWUFC-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.11
Rot. Bonds5

About 1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone

1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone (PubChem CID 117298432) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone
PubChem CID117298432
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Name1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone
SMILESCNCC(=O)c1ccc(C(O)CO)cc1
InChIInChI=1S/C11H15NO3/c1-12-6-10(14)8-2-4-9(5-3-8)11(15)7-13/h2-5,11-13,15H,6-7H2,1H3
InChIKeyDEIVLJRMDYWUFC-UHFFFAOYSA-N
XLogP0.11
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-1-(4-propan-2-ylsulfanylphenyl)ethanone
CID 96672644
1-[4-(difluoromethylsulfanyl)phenyl]-2-(methylamino)ethanone
CID 117334188
1-[4-(1-hydroxyethyl)phenyl]ethane-1,2-diol
CID 117279181
1-[3,4-bis(methylsulfanyl)phenyl]-2-(methylamino)ethanone
CID 117355944
1-(4-cyclobutylphenyl)-2-(methylamino)ethanone
CID 116553849
1-(3-fluoro-4-pentan-3-ylphenyl)-2-(methylamino)ethanone
CID 117347376
1-(4-cyclohexylphenyl)-2-(methylamino)ethanone
CID 82082215
1-[4-fluoro-3-(hydroxymethyl)phenyl]-2-(methylamino)ethanone
CID 117286820
2-(methylamino)-1-(6-methyl-3-pyridinyl)ethanone
CID 82596607
1-[4-(1-methoxycyclopropyl)phenyl]-2-(methylamino)ethanone
CID 117108267
4-oxo-4-[4-(1,2,3-trihydroxypropyl)phenyl]butanoic acid
CID 170818789
2-methyl-N-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]propanamide
CID 94266974

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone?
The IUPAC name of 1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone (CID 117298432) is 1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone is CNCC(=O)c1ccc(C(O)CO)cc1.
What is the InChIKey of 1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone?
The InChIKey is DEIVLJRMDYWUFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-12-6-10(14)8-2-4-9(5-3-8)11(15)7-13/h2-5,11-13,15H,6-7H2,1H3.
What are the key properties of 1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone?
1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone has a molecular weight of 209.24 g/mol, XLogP of 0.11, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1,2-dihydroxyethyl)phenyl]-2-(methylamino)ethanone is sourced from PubChem (CID 117298432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).