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

C11H15NO2 — CID 89289016

IUPAC1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1cccc(O)c1N
InChIInChI=1S/C11H15NO2/c1-7(2)6-10(14)8-4-3-5-9(13)11(8)12/h3-5,7,13H,6,12H2,1-2H3
InChIKeyDWVILEUQMJSPQY-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.20
Rot. Bonds3

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

1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one (PubChem CID 89289016) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one
PubChem CID89289016
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one
SMILESCC(C)CC(=O)c1cccc(O)c1N
InChIInChI=1S/C11H15NO2/c1-7(2)6-10(14)8-4-3-5-9(13)11(8)12/h3-5,7,13H,6,12H2,1-2H3
InChIKeyDWVILEUQMJSPQY-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydroxyphenyl)-3-methylbutan-1-one
CID 121220947
2-amino-3-[(3R)-3-aminobutanoyl]benzoic acid
CID 23405622
1-(3-hydroxynaphthalen-2-yl)-3-methylbutan-1-one
CID 58544370
3-methyl-1-(2,4,5-trihydroxyphenyl)butan-1-one
CID 15489187
3-methyl-1-[2-[2-(methylamino)ethyl]phenyl]butan-1-one
CID 116613183
1-(2-amino-3-hydroxyphenyl)-5-(4-hydroxyphenyl)pentane-1,5-dione
CID 158536344
1-(2-tert-butylphenyl)-3-methylbutan-1-one
CID 114962409
1-[2-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbutan-1-one
CID 146682720
1-(2-amino-3-hydroxyphenyl)ethanone;2-aminophenol
CID 174453955
3-(aminomethyl)-1-(2,3-difluorophenyl)-5-methylhexan-1-one
CID 116576806
2-iodo-N-[2-(3-methylbutanoyl)phenyl]benzamide
CID 66968688
2,3-dihydroxy-N-(2-methylpropoxy)benzamide
CID 114344886

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one?
The IUPAC name of 1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one (CID 89289016) is 1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one.
What is the SMILES notation for 1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one?
The canonical SMILES for 1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one is CC(C)CC(=O)c1cccc(O)c1N.
What is the InChIKey of 1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one?
The InChIKey is DWVILEUQMJSPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-7(2)6-10(14)8-4-3-5-9(13)11(8)12/h3-5,7,13H,6,12H2,1-2H3.
What are the key properties of 1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one?
1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one has a molecular weight of 193.25 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-hydroxyphenyl)-3-methylbutan-1-one is sourced from PubChem (CID 89289016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).