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

C11H16ClNO2 — CID 139632536

IUPAC1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride
SMILESCCCC(=O)C(N)c1ccc(O)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-3-10(14)11(12)8-4-6-9(13)7-5-8;/h4-7,11,13H,2-3,12H2,1H3;1H
InChIKeyGXVXFAYKIDDDIK-UHFFFAOYSA-N
MW229.71 g/mol
LogP2.18
Rot. Bonds4

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

1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride (PubChem CID 139632536) has the molecular formula C11H16ClNO2 and a molecular weight of 229.71 g/mol. Its IUPAC name is 1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride.

Molecular Properties

Compound Name1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride
PubChem CID139632536
Molecular FormulaC11H16ClNO2
Molecular Weight229.71 g/mol
Exact Mass229.09
IUPAC Name1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride
SMILESCCCC(=O)C(N)c1ccc(O)cc1.Cl
InChIInChI=1S/C11H15NO2.ClH/c1-2-3-10(14)11(12)8-4-6-9(13)7-5-8;/h4-7,11,13H,2-3,12H2,1H3;1H
InChIKeyGXVXFAYKIDDDIK-UHFFFAOYSA-N
XLogP2.18
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-amino-1-phenylheptan-2-one
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2-amino-2-(4-hydroxyphenyl)acetate;tetrabutylazanium
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2-(4-hydroxyphenyl)heptan-4-one
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(1R)-1-amino-3-(4-hydroxyphenyl)-1-phenylpropan-2-one
CID 104891138
ethyl 2-bromo-2-(4-hydroxyphenyl)acetate
CID 88979124
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
4-[(1R)-1-aminoethyl]phenol;hydrochloride
CID 127264624
CID 159192665
CID 159192665
diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate
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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride?
The IUPAC name of 1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride (CID 139632536) is 1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride.
What is the SMILES notation for 1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride?
The canonical SMILES for 1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride is CCCC(=O)C(N)c1ccc(O)cc1.Cl.
What is the InChIKey of 1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride?
The InChIKey is GXVXFAYKIDDDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2.ClH/c1-2-3-10(14)11(12)8-4-6-9(13)7-5-8;/h4-7,11,13H,2-3,12H2,1H3;1H.
What are the key properties of 1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride?
1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride has a molecular weight of 229.71 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-(4-hydroxyphenyl)pentan-2-one;hydrochloride is sourced from PubChem (CID 139632536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).