4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one

C12H17NO2 — CID 116581146

IUPAC4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one
SMILESCC(C)(N)CC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-12(2,13)8-11(15)7-9-3-5-10(14)6-4-9/h3-6,14H,7-8,13H2,1-2H3
InChIKeyUBXPJJHJGNFMMT-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.63
Rot. Bonds4

About 4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one

4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one (PubChem CID 116581146) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one.

Molecular Properties

Compound Name4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one
PubChem CID116581146
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one
SMILESCC(C)(N)CC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C12H17NO2/c1-12(2,13)8-11(15)7-9-3-5-10(14)6-4-9/h3-6,14H,7-8,13H2,1-2H3
InChIKeyUBXPJJHJGNFMMT-UHFFFAOYSA-N
XLogP1.63
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-(3,4-dimethylphenyl)-4-methylpentan-2-one
CID 116581156
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
3-amino-1-(4-hydroxyphenyl)-3-methylbutan-2-one
CID 116560214
4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
CID 116581175
4-amino-1-(4-hydroxyphenyl)pentan-2-one
CID 116555956
4-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116609109
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
4-(4-hydroxyphenyl)-3-oxobutanoic acid
CID 91396936
4-amino-1-(2,6-dichlorophenyl)-4-methylpentan-2-one
CID 116580998
5-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116571734
2-(4-hydroxyphenyl)acetamide;dihydrate
CID 174796457
7-amino-1-(4-hydroxyphenyl)heptan-2-one
CID 116550069

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one?
The IUPAC name of 4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one (CID 116581146) is 4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one.
What is the SMILES notation for 4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one?
The canonical SMILES for 4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one is CC(C)(N)CC(=O)Cc1ccc(O)cc1.
What is the InChIKey of 4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one?
The InChIKey is UBXPJJHJGNFMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-12(2,13)8-11(15)7-9-3-5-10(14)6-4-9/h3-6,14H,7-8,13H2,1-2H3.
What are the key properties of 4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one?
4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one has a molecular weight of 207.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one is sourced from PubChem (CID 116581146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).