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

C10H14ClNO2 — CID 86601556

IUPAC2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride
SMILESCCC(N)C(=O)c1ccc(O)cc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-2-9(11)10(13)7-3-5-8(12)6-4-7;/h3-6,9,12H,2,11H2,1H3;1H
InChIKeyJYWLZHNVSXJBRR-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.73
Rot. Bonds3

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

2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride (PubChem CID 86601556) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride
PubChem CID86601556
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride
SMILESCCC(N)C(=O)c1ccc(O)cc1.Cl
InChIInChI=1S/C10H13NO2.ClH/c1-2-9(11)10(13)7-3-5-8(12)6-4-7;/h3-6,9,12H,2,11H2,1H3;1H
InChIKeyJYWLZHNVSXJBRR-UHFFFAOYSA-N
XLogP1.73
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(4-fluorophenyl)butan-1-one
CID 6940476
2-amino-1-(4-chlorophenyl)butan-1-one
CID 2831614
(2S)-2-amino-1-(4-chlorophenyl)butan-1-one
CID 779152
2-amino-1-(3,4-dihydroxyphenyl)butan-1-one
CID 82400550
2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601032
(2S)-2-amino-1-thiophen-3-ylbutan-1-one
CID 165468117
(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one
CID 67900502
2-(ethylamino)-1-(4-hydroxyphenyl)butan-1-one
CID 141149371
2-amino-1-(3-chloro-4-methylphenyl)butan-1-one
CID 107561317
(2R)-1-(4-hydroxyphenyl)-2-phenylbutan-1-one
CID 914909
2-amino-N-(4-hydroxyphenyl)-N-methylbutanamide
CID 107734416
2-cyclopentyl-1-(4-hydroxyphenyl)butan-1-one
CID 13175265

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride (CID 86601556) is 2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride is CCC(N)C(=O)c1ccc(O)cc1.Cl.
What is the InChIKey of 2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride?
The InChIKey is JYWLZHNVSXJBRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO2.ClH/c1-2-9(11)10(13)7-3-5-8(12)6-4-7;/h3-6,9,12H,2,11H2,1H3;1H.
What are the key properties of 2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride?
2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride has a molecular weight of 215.68 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride is sourced from PubChem (CID 86601556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).