1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride

C9H12ClNO2 — CID 3024110

IUPAC1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)c1cccc(O)c1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,10-11H,6H2,1H3;1H
InChIKeyDEOGEZWYKPQJLP-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.22
Rot. Bonds3

About 1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride

1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride (PubChem CID 3024110) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
PubChem CID3024110
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)c1cccc(O)c1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,10-11H,6H2,1H3;1H
InChIKeyDEOGEZWYKPQJLP-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

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Related Compounds

Adrenalone
CID 7436
Ethanone, 1-(3,4-dihydroxyphenyl)-2-(methylamino)-, hydrochloride (1:1)
CID 66136
1-(3,4-Dihydroxyphenyl)-2-((1-methylethyl)amino)ethanone
CID 8465
Ethanone, 1-(3-hydroxyphenyl)-2-(methyl(phenylmethyl)amino)-, hydrochloride (1:1)
CID 172900
2-Amino-1-(3,4-dihydroxyphenyl)ethanone
CID 10359
4'-Hydroxy-2-(methylamino)acetophenone
CID 88825
Isoproterenone hydrochloride
CID 2830496
3-Methoxymethcathinone
CID 82281626
2-(Cyclohexylamino)-1-(3,4-dihydroxyphenyl)ethan-1-one--hydrogen chloride (1/1)
CID 2841226
2-(Cyclohexylamino)-1-(3,4-dihydroxyphenyl)ethanone
CID 27716
N-(2-(4-hydroxyphenyl)-2-oxoethyl)acetamide
CID 20457953
N-[2-(4-hydroxyphenyl)-2-oxoethyl]butanamide
CID 53360341

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride (CID 3024110) is 1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride is CNCC(=O)c1cccc(O)c1.Cl.
What is the InChIKey of 1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride?
The InChIKey is DEOGEZWYKPQJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-10-6-9(12)7-3-2-4-8(11)5-7;/h2-5,10-11H,6H2,1H3;1H.
What are the key properties of 1-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride?
1-(3-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-(3-hydroxyphenyl)-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 3024110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).