1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone

C10H13NO2 — CID 82600157

IUPAC1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)ccc1O
InChIInChI=1S/C10H13NO2/c1-7-3-4-9(12)8(5-7)10(13)6-11-2/h3-5,11-12H,6H2,1-2H3
InChIKeyMUCHNRBSQBZGQA-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.10
Rot. Bonds3

About 1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone

1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone (PubChem CID 82600157) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
PubChem CID82600157
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cc(C)ccc1O
InChIInChI=1S/C10H13NO2/c1-7-3-4-9(12)8(5-7)10(13)6-11-2/h3-5,11-12H,6H2,1-2H3
InChIKeyMUCHNRBSQBZGQA-UHFFFAOYSA-N
XLogP1.10
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dihydroxyphenyl)-2-(methylamino)ethanone
CID 117278643
1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone
CID 82601575
1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179
1-(2-hydroxy-5-methylphenyl)butan-1-one
CID 4119461
sodium 4-(2-hydroxy-5-methylphenyl)-4-oxobutanoate
CID 110193908
2-hydroxy-5-methyl-N-[3-(methylamino)propyl]benzamide
CID 43600759
1-(4,5-dihydroxy-2,3-dimethylphenyl)-2-(methylamino)ethanone
CID 117298446
1-(4-tert-butylphenyl)-3-(2-hydroxy-5-methylphenyl)propane-1,3-dione
CID 776153
1-(2-hydroxy-5-methylphenyl)-2-(3-methylphenyl)ethanone
CID 155671740
1-(2-hydroxy-5-methylphenyl)dodecan-1-one
CID 158719542
2-[[12-(2-hydroxy-5-methylphenyl)-12-oxododecanoyl]amino]acetic acid
CID 4106169
4,4,4-trifluoro-3-hydroxyimino-1-(2-hydroxy-5-methylphenyl)butan-1-one
CID 57368777

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone (CID 82600157) is 1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cc(C)ccc1O.
What is the InChIKey of 1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone?
The InChIKey is MUCHNRBSQBZGQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-7-3-4-9(12)8(5-7)10(13)6-11-2/h3-5,11-12H,6H2,1-2H3.
What are the key properties of 1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone?
1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone has a molecular weight of 179.22 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone is sourced from PubChem (CID 82600157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).