1-(4-hydroxy-N-methylanilino)propan-2-one

C10H13NO2 — CID 12814770

IUPAC1-(4-hydroxy-N-methylanilino)propan-2-one
SMILESCC(=O)CN(C)c1ccc(O)cc1
InChIInChI=1S/C10H13NO2/c1-8(12)7-11(2)9-3-5-10(13)6-4-9/h3-6,13H,7H2,1-2H3
InChIKeyMXNGYWZLTBQCGP-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.42
Rot. Bonds3

About 1-(4-hydroxy-N-methylanilino)propan-2-one

1-(4-hydroxy-N-methylanilino)propan-2-one (PubChem CID 12814770) has the molecular formula C10H13NO2 and a molecular weight of 179.22 g/mol. Its IUPAC name is 1-(4-hydroxy-N-methylanilino)propan-2-one.

Molecular Properties

Compound Name1-(4-hydroxy-N-methylanilino)propan-2-one
PubChem CID12814770
Molecular FormulaC10H13NO2
Molecular Weight179.22 g/mol
Exact Mass179.09
IUPAC Name1-(4-hydroxy-N-methylanilino)propan-2-one
SMILESCC(=O)CN(C)c1ccc(O)cc1
InChIInChI=1S/C10H13NO2/c1-8(12)7-11(2)9-3-5-10(13)6-4-9/h3-6,13H,7H2,1-2H3
InChIKeyMXNGYWZLTBQCGP-UHFFFAOYSA-N
XLogP1.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-N-methylanilino)propan-2-one?
The IUPAC name of 1-(4-hydroxy-N-methylanilino)propan-2-one (CID 12814770) is 1-(4-hydroxy-N-methylanilino)propan-2-one.
What is the SMILES notation for 1-(4-hydroxy-N-methylanilino)propan-2-one?
The canonical SMILES for 1-(4-hydroxy-N-methylanilino)propan-2-one is CC(=O)CN(C)c1ccc(O)cc1.
What is the InChIKey of 1-(4-hydroxy-N-methylanilino)propan-2-one?
The InChIKey is MXNGYWZLTBQCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2/c1-8(12)7-11(2)9-3-5-10(13)6-4-9/h3-6,13H,7H2,1-2H3.
What are the key properties of 1-(4-hydroxy-N-methylanilino)propan-2-one?
1-(4-hydroxy-N-methylanilino)propan-2-one has a molecular weight of 179.22 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-N-methylanilino)propan-2-one is sourced from PubChem (CID 12814770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).