[4-(dimethylamino)phenyl]boronic acid

C8H12BNO2 — CID 2734344

IUPAC[4-(dimethylamino)phenyl]boronic acid
SMILESCN(C)c1ccc(B(O)O)cc1
InChIInChI=1S/C8H12BNO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3
InChIKeyRIIPFHVHLXPMHQ-UHFFFAOYSA-N
MW165.00 g/mol
LogP-0.57
Rot. Bonds2

About [4-(dimethylamino)phenyl]boronic acid

[4-(dimethylamino)phenyl]boronic acid (PubChem CID 2734344) has the molecular formula C8H12BNO2 and a molecular weight of 165.00 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]boronic acid
PubChem CID2734344
Molecular FormulaC8H12BNO2
Molecular Weight165.00 g/mol
Exact Mass165.10
IUPAC Name[4-(dimethylamino)phenyl]boronic acid
SMILESCN(C)c1ccc(B(O)O)cc1
InChIInChI=1S/C8H12BNO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3
InChIKeyRIIPFHVHLXPMHQ-UHFFFAOYSA-N
XLogP-0.57
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.00
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]boronic acid?
The IUPAC name of [4-(dimethylamino)phenyl]boronic acid (CID 2734344) is [4-(dimethylamino)phenyl]boronic acid.
What is the SMILES notation for [4-(dimethylamino)phenyl]boronic acid?
The canonical SMILES for [4-(dimethylamino)phenyl]boronic acid is CN(C)c1ccc(B(O)O)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]boronic acid?
The InChIKey is RIIPFHVHLXPMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12BNO2/c1-10(2)8-5-3-7(4-6-8)9(11)12/h3-6,11-12H,1-2H3.
What are the key properties of [4-(dimethylamino)phenyl]boronic acid?
[4-(dimethylamino)phenyl]boronic acid has a molecular weight of 165.00 g/mol, XLogP of -0.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]boronic acid is sourced from PubChem (CID 2734344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).