3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one

C11H15NO2 — CID 116560214

IUPAC3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one
SMILESCC(C)(N)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-11(2,12)10(14)7-8-3-5-9(13)6-4-8/h3-6,13H,7,12H2,1-2H3
InChIKeyBOXOCWNWDKMFLU-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.24
Rot. Bonds3

About 3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one

3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one (PubChem CID 116560214) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one.

Molecular Properties

Compound Name3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one
PubChem CID116560214
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one
SMILESCC(C)(N)C(=O)Cc1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-11(2,12)10(14)7-8-3-5-9(13)6-4-8/h3-6,13H,7,12H2,1-2H3
InChIKeyBOXOCWNWDKMFLU-UHFFFAOYSA-N
XLogP1.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one
CID 116581146
3-amino-1-(3,4-dimethylphenyl)-3-methylbutan-2-one
CID 116560222
4-amino-3,3,4-trimethyl-1-(4-methylphenyl)pentan-2-one
CID 116573662
3-amino-1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-2-one
CID 116560239
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
2-(4-hydroxyphenyl)acetamide;dihydrate
CID 174796457
2-[[2-(4-hydroxyphenyl)acetyl]amino]-2-methylpropanoic acid
CID 61262622
sodium 2-(4-hydroxyphenyl)acetate
CID 23664575
(4-hydroxyphenyl)methyl 2-(4-hydroxyphenyl)acetate
CID 141285444
3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101
3-amino-3-methyl-1-(2-methylphenyl)butan-2-one
CID 116560190

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one?
The IUPAC name of 3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one (CID 116560214) is 3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one.
What is the SMILES notation for 3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one?
The canonical SMILES for 3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one is CC(C)(N)C(=O)Cc1ccc(O)cc1.
What is the InChIKey of 3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one?
The InChIKey is BOXOCWNWDKMFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,12)10(14)7-8-3-5-9(13)6-4-8/h3-6,13H,7,12H2,1-2H3.
What are the key properties of 3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one?
3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one is sourced from PubChem (CID 116560214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).