[2-(2-hydroxyethylamino)phenoxy]boronic acid

C8H12BNO4 — CID 150690493

IUPAC[2-(2-hydroxyethylamino)phenoxy]boronic acid
SMILESOCCNc1ccccc1OB(O)O
InChIInChI=1S/C8H12BNO4/c11-6-5-10-7-3-1-2-4-8(7)14-9(12)13/h1-4,10-13H,5-6H2
InChIKeyJJTUHXKEYNBXTJ-UHFFFAOYSA-N
MW197.00 g/mol
LogP-0.56
Rot. Bonds5

About [2-(2-hydroxyethylamino)phenoxy]boronic acid

[2-(2-hydroxyethylamino)phenoxy]boronic acid (PubChem CID 150690493) has the molecular formula C8H12BNO4 and a molecular weight of 197.00 g/mol. Its IUPAC name is [2-(2-hydroxyethylamino)phenoxy]boronic acid.

Molecular Properties

Compound Name[2-(2-hydroxyethylamino)phenoxy]boronic acid
PubChem CID150690493
Molecular FormulaC8H12BNO4
Molecular Weight197.00 g/mol
Exact Mass197.09
IUPAC Name[2-(2-hydroxyethylamino)phenoxy]boronic acid
SMILESOCCNc1ccccc1OB(O)O
InChIInChI=1S/C8H12BNO4/c11-6-5-10-7-3-1-2-4-8(7)14-9(12)13/h1-4,10-13H,5-6H2
InChIKeyJJTUHXKEYNBXTJ-UHFFFAOYSA-N
XLogP-0.56
TPSA81.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.00
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[3-(2-hydroxyethylamino)phenoxy]boronic acid
CID 151039320
2-(2-iodoanilino)ethanol
CID 28978311
2-(2,3-dimethoxyanilino)ethanol
CID 174734615
(2-fluorophenoxy)boronic acid
CID 22237831
4-(2-butoxyanilino)butan-1-ol
CID 54803446
4-(2-phenylmethoxyanilino)butan-1-ol
CID 54803447
[2-(2-hydroxyethylamino)phenyl] 2-(4-hydroxyanilino)acetate
CID 67910941
5-[2-(5-hydroxypentylamino)anilino]pentan-1-ol
CID 165350008
2-(2-methoxyanilino)ethanol;2-methylbenzene-1,3-diol;sulfuric acid
CID 158141355
2-(2-butylanilino)ethanol
CID 139597188
3-(2-hydroxyethylamino)benzene-1,2-diol
CID 70502073
2-(2-hydroxyethylamino)-6-methylphenol
CID 68893139

Frequently Asked Questions

What is the IUPAC name of [2-(2-hydroxyethylamino)phenoxy]boronic acid?
The IUPAC name of [2-(2-hydroxyethylamino)phenoxy]boronic acid (CID 150690493) is [2-(2-hydroxyethylamino)phenoxy]boronic acid.
What is the SMILES notation for [2-(2-hydroxyethylamino)phenoxy]boronic acid?
The canonical SMILES for [2-(2-hydroxyethylamino)phenoxy]boronic acid is OCCNc1ccccc1OB(O)O.
What is the InChIKey of [2-(2-hydroxyethylamino)phenoxy]boronic acid?
The InChIKey is JJTUHXKEYNBXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BNO4/c11-6-5-10-7-3-1-2-4-8(7)14-9(12)13/h1-4,10-13H,5-6H2.
What are the key properties of [2-(2-hydroxyethylamino)phenoxy]boronic acid?
[2-(2-hydroxyethylamino)phenoxy]boronic acid has a molecular weight of 197.00 g/mol, XLogP of -0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-hydroxyethylamino)phenoxy]boronic acid is sourced from PubChem (CID 150690493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).