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

C9H12ClNO2 — CID 22601032

IUPAC2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)c1ccc(O)cc1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-6(10)9(12)7-2-4-8(11)5-3-7;/h2-6,11H,10H2,1H3;1H
InChIKeyQSJIZQZNPCLCJL-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.34
Rot. Bonds2

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

2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride (PubChem CID 22601032) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
PubChem CID22601032
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride
SMILESCC(N)C(=O)c1ccc(O)cc1.Cl
InChIInChI=1S/C9H11NO2.ClH/c1-6(10)9(12)7-2-4-8(11)5-3-7;/h2-6,11H,10H2,1H3;1H
InChIKeyQSJIZQZNPCLCJL-UHFFFAOYSA-N
XLogP1.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-(4-hydroxyphenyl)-3-methylbutan-1-one
CID 67900502
2-amino-1-(4-hydroxyphenyl)butan-1-one;hydrochloride
CID 86601556
(2S)-2-amino-1-[4-(bromomethyl)phenyl]propan-1-one;hydrochloride
CID 155254847
2-amino-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601034
2-amino-1-[4-(methoxymethyl)phenyl]propan-1-one
CID 76541422
N-[4-(2-aminopropanoyl)phenyl]acetamide
CID 70449840
2-amino-1-(4-butan-2-ylphenyl)propan-1-one
CID 82048669
2-[4-(2-aminopropanoyl)phenoxy]acetic acid;hydrochloride
CID 67570371
2-amino-1-(4-bromo-3-hydroxyphenyl)propan-1-one
CID 84802384
2-amino-1-[4-(diethylamino)phenyl]propan-1-one
CID 83971993
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
N-[4-(2-aminopropanoyl)phenyl]propanamide
CID 82341614

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride (CID 22601032) is 2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride is CC(N)C(=O)c1ccc(O)cc1.Cl.
What is the InChIKey of 2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride?
The InChIKey is QSJIZQZNPCLCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-6(10)9(12)7-2-4-8(11)5-3-7;/h2-6,11H,10H2,1H3;1H.
What are the key properties of 2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride?
2-amino-1-(4-hydroxyphenyl)propan-1-one;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.34, 2 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)propan-1-one;hydrochloride is sourced from PubChem (CID 22601032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).