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

C9H11NO2 — CID 3024111

IUPAC1-(3-hydroxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cccc(O)c1
InChIInChI=1S/C9H11NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,10-11H,6H2,1H3
InChIKeyBDLRAEZKFVYJPW-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.79
Rot. Bonds3

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

1-(3-hydroxyphenyl)-2-(methylamino)ethanone (PubChem CID 3024111) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-2-(methylamino)ethanone
PubChem CID3024111
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-(3-hydroxyphenyl)-2-(methylamino)ethanone
SMILESCNCC(=O)c1cccc(O)c1
InChIInChI=1S/C9H11NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,10-11H,6H2,1H3
InChIKeyBDLRAEZKFVYJPW-UHFFFAOYSA-N
XLogP0.79
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-2-(methylamino)ethanone?
The IUPAC name of 1-(3-hydroxyphenyl)-2-(methylamino)ethanone (CID 3024111) is 1-(3-hydroxyphenyl)-2-(methylamino)ethanone.
What is the SMILES notation for 1-(3-hydroxyphenyl)-2-(methylamino)ethanone?
The canonical SMILES for 1-(3-hydroxyphenyl)-2-(methylamino)ethanone is CNCC(=O)c1cccc(O)c1.
What is the InChIKey of 1-(3-hydroxyphenyl)-2-(methylamino)ethanone?
The InChIKey is BDLRAEZKFVYJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-10-6-9(12)7-3-2-4-8(11)5-7/h2-5,10-11H,6H2,1H3.
What are the key properties of 1-(3-hydroxyphenyl)-2-(methylamino)ethanone?
1-(3-hydroxyphenyl)-2-(methylamino)ethanone has a molecular weight of 165.19 g/mol, XLogP of 0.79, 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 is sourced from PubChem (CID 3024111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).