1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride

C9H12ClNO2 — CID 140991954

IUPAC1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)c1ccccc1O.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-10-6-9(12)7-4-2-3-5-8(7)11;/h2-5,10-11H,6H2,1H3;1H
InChIKeyRBGNQWCIVXRPOX-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.22
Rot. Bonds3

About 1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride

1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride (PubChem CID 140991954) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
PubChem CID140991954
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)c1ccccc1O.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-10-6-9(12)7-4-2-3-5-8(7)11;/h2-5,10-11H,6H2,1H3;1H
InChIKeyRBGNQWCIVXRPOX-UHFFFAOYSA-N
XLogP1.22
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride 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-(2-hydroxy-5-methylphenyl)-2-(methylamino)ethanone
CID 82600157
1-[2-(fluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84657859
1-(5-fluoro-2-hydroxyphenyl)-2-(methylamino)ethanone
CID 82601575
1,4-bis(2-hydroxyphenyl)butane-1,4-dione
CID 3624355
ethyl N-[2-(2-hydroxyphenyl)-2-oxoethyl]carbamate
CID 70437866
1-[2-(dimethoxymethyl)phenyl]-2-(methylamino)ethanone
CID 84788996
1-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-3-(2-hydroxyphenyl)propane-1,3-dione
CID 10354535
1-[2-(2-fluoro-2-methylpropyl)phenyl]-2-(methylamino)ethanone
CID 117320150
1-[2-(2-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-2-(methylamino)ethanone
CID 84696388
1-(2-hydroxy-4,5-dimethylphenyl)-2-(methylamino)ethanone
CID 82605179

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride (CID 140991954) is 1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride is CNCC(=O)c1ccccc1O.Cl.
What is the InChIKey of 1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride?
The InChIKey is RBGNQWCIVXRPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-10-6-9(12)7-4-2-3-5-8(7)11;/h2-5,10-11H,6H2,1H3;1H.
What are the key properties of 1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride?
1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 140991954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).