1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone

C11H15NO2 — CID 11252531

IUPAC1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CN(C)C)c1
InChIInChI=1S/C11H15NO2/c1-8(13)9-4-5-11(14)10(6-9)7-12(2)3/h4-6,14H,7H2,1-3H3
InChIKeyWAENDPRPZPEBQR-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.66
Rot. Bonds3

About 1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone

1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone (PubChem CID 11252531) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone
PubChem CID11252531
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone
SMILESCC(=O)c1ccc(O)c(CN(C)C)c1
InChIInChI=1S/C11H15NO2/c1-8(13)9-4-5-11(14)10(6-9)7-12(2)3/h4-6,14H,7H2,1-3H3
InChIKeyWAENDPRPZPEBQR-UHFFFAOYSA-N
XLogP1.66
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone?
The IUPAC name of 1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone (CID 11252531) is 1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone is CC(=O)c1ccc(O)c(CN(C)C)c1.
What is the InChIKey of 1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone?
The InChIKey is WAENDPRPZPEBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(13)9-4-5-11(14)10(6-9)7-12(2)3/h4-6,14H,7H2,1-3H3.
What are the key properties of 1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone?
1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone has a molecular weight of 193.25 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(dimethylamino)methyl]-4-hydroxyphenyl]ethanone is sourced from PubChem (CID 11252531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).