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

C11H15NO2 — CID 116555956

IUPAC4-amino-1-(4-hydroxyphenyl)pentan-2-one
SMILESCC(N)CC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-8(12)6-11(14)7-9-2-4-10(13)5-3-9/h2-5,8,13H,6-7,12H2,1H3
InChIKeyXXNALVVDIMPQSH-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.24
Rot. Bonds4

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

4-amino-1-(4-hydroxyphenyl)pentan-2-one (PubChem CID 116555956) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-amino-1-(4-hydroxyphenyl)pentan-2-one.

Molecular Properties

Compound Name4-amino-1-(4-hydroxyphenyl)pentan-2-one
PubChem CID116555956
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name4-amino-1-(4-hydroxyphenyl)pentan-2-one
SMILESCC(N)CC(=O)Cc1ccc(O)cc1
InChIInChI=1S/C11H15NO2/c1-8(12)6-11(14)7-9-2-4-10(13)5-3-9/h2-5,8,13H,6-7,12H2,1H3
InChIKeyXXNALVVDIMPQSH-UHFFFAOYSA-N
XLogP1.24
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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)hexan-2-one
CID 116609109
5-amino-1-(4-hydroxyphenyl)hexan-2-one
CID 116571734
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
(2R)-2-amino-1-(4-hydroxyphenyl)-4-methylpentan-3-one
CID 139478348
3-amino-1-(4-hydroxyphenyl)-4-methylhexan-2-one
CID 116552817
4-amino-1-(furan-3-yl)pentan-2-one
CID 116555995
3-amino-N-[(4-hydroxyphenyl)methyl]butanamide
CID 114332164
3-amino-N-[(4-hydroxyphenyl)methyl]-N-methylbutanamide
CID 60963572
4-amino-1-(3-methylphenyl)pentan-2-one
CID 116555932
3-hydroxy-1-(4-hydroxyphenyl)butan-2-one
CID 66599101
3-amino-1-(4-hydroxyphenyl)-5-methylhexan-2-one
CID 116553588
4-amino-1-(4-hydroxyphenyl)-4-methylpentan-2-one
CID 116581146

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(4-hydroxyphenyl)pentan-2-one?
The IUPAC name of 4-amino-1-(4-hydroxyphenyl)pentan-2-one (CID 116555956) is 4-amino-1-(4-hydroxyphenyl)pentan-2-one.
What is the SMILES notation for 4-amino-1-(4-hydroxyphenyl)pentan-2-one?
The canonical SMILES for 4-amino-1-(4-hydroxyphenyl)pentan-2-one is CC(N)CC(=O)Cc1ccc(O)cc1.
What is the InChIKey of 4-amino-1-(4-hydroxyphenyl)pentan-2-one?
The InChIKey is XXNALVVDIMPQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-8(12)6-11(14)7-9-2-4-10(13)5-3-9/h2-5,8,13H,6-7,12H2,1H3.
What are the key properties of 4-amino-1-(4-hydroxyphenyl)pentan-2-one?
4-amino-1-(4-hydroxyphenyl)pentan-2-one has a molecular weight of 193.25 g/mol, XLogP of 1.24, 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)pentan-2-one is sourced from PubChem (CID 116555956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).