1-amino-3-(2-hydroxyphenyl)propan-2-one

C9H11NO2 — CID 141322546

IUPAC1-amino-3-(2-hydroxyphenyl)propan-2-one
SMILESNCC(=O)Cc1ccccc1O
InChIInChI=1S/C9H11NO2/c10-6-8(11)5-7-3-1-2-4-9(7)12/h1-4,12H,5-6,10H2
InChIKeyDUAFLTMTGILLEQ-UHFFFAOYSA-N
MW165.19 g/mol
LogP0.46
Rot. Bonds3

About 1-amino-3-(2-hydroxyphenyl)propan-2-one

1-amino-3-(2-hydroxyphenyl)propan-2-one (PubChem CID 141322546) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 1-amino-3-(2-hydroxyphenyl)propan-2-one.

Molecular Properties

Compound Name1-amino-3-(2-hydroxyphenyl)propan-2-one
PubChem CID141322546
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name1-amino-3-(2-hydroxyphenyl)propan-2-one
SMILESNCC(=O)Cc1ccccc1O
InChIInChI=1S/C9H11NO2/c10-6-8(11)5-7-3-1-2-4-9(7)12/h1-4,12H,5-6,10H2
InChIKeyDUAFLTMTGILLEQ-UHFFFAOYSA-N
XLogP0.46
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

azane;bis(2-(2-hydroxyphenyl)acetic acid)
CID 70465939
2-(aminomethyl)phenol;methane
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sodium 3-(2-hydroxyphenyl)-2-oxopropanoate
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1-(2-hydroxyphenyl)-3-(N-methylanilino)propan-2-one
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sodium;azane;2-[2-(2-hydroxyphenyl)acetyl]oxyethyl 2-(2-hydroxyphenyl)acetate;iron(3+)
CID 23623782
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
2-ethylphenol;formaldehyde;urea
CID 162140280
2-hydroxybenzoic acid;2-(2-hydroxyphenyl)acetic acid
CID 70273337
2,2-bis[(2-hydroxyphenyl)methyl]propanedioic acid
CID 70599857
N-(2-amino-2-oxoethyl)-2-(2-hydroxyphenyl)acetamide
CID 78993716
2-aminoacetic acid;1,1'-biphenyl
CID 22134128
benzene;2-ethylphenol
CID 159726745

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-hydroxyphenyl)propan-2-one?
The IUPAC name of 1-amino-3-(2-hydroxyphenyl)propan-2-one (CID 141322546) is 1-amino-3-(2-hydroxyphenyl)propan-2-one.
What is the SMILES notation for 1-amino-3-(2-hydroxyphenyl)propan-2-one?
The canonical SMILES for 1-amino-3-(2-hydroxyphenyl)propan-2-one is NCC(=O)Cc1ccccc1O.
What is the InChIKey of 1-amino-3-(2-hydroxyphenyl)propan-2-one?
The InChIKey is DUAFLTMTGILLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c10-6-8(11)5-7-3-1-2-4-9(7)12/h1-4,12H,5-6,10H2.
What are the key properties of 1-amino-3-(2-hydroxyphenyl)propan-2-one?
1-amino-3-(2-hydroxyphenyl)propan-2-one has a molecular weight of 165.19 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-hydroxyphenyl)propan-2-one is sourced from PubChem (CID 141322546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).