[4-[methyl(propan-2-yl)amino]phenyl]boronic acid

C10H16BNO2 — CID 119088418

IUPAC[4-[methyl(propan-2-yl)amino]phenyl]boronic acid
SMILESCC(C)N(C)c1ccc(B(O)O)cc1
InChIInChI=1S/C10H16BNO2/c1-8(2)12(3)10-6-4-9(5-7-10)11(13)14/h4-8,13-14H,1-3H3
InChIKeyZFIWRROCELNVHR-UHFFFAOYSA-N
MW193.06 g/mol
LogP0.21
Rot. Bonds3

About [4-[methyl(propan-2-yl)amino]phenyl]boronic acid

[4-[methyl(propan-2-yl)amino]phenyl]boronic acid (PubChem CID 119088418) has the molecular formula C10H16BNO2 and a molecular weight of 193.06 g/mol. Its IUPAC name is [4-[methyl(propan-2-yl)amino]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[methyl(propan-2-yl)amino]phenyl]boronic acid
PubChem CID119088418
Molecular FormulaC10H16BNO2
Molecular Weight193.06 g/mol
Exact Mass193.13
IUPAC Name[4-[methyl(propan-2-yl)amino]phenyl]boronic acid
SMILESCC(C)N(C)c1ccc(B(O)O)cc1
InChIInChI=1S/C10H16BNO2/c1-8(2)12(3)10-6-4-9(5-7-10)11(13)14/h4-8,13-14H,1-3H3
InChIKeyZFIWRROCELNVHR-UHFFFAOYSA-N
XLogP0.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.06
LogP ≤ 50.21
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-[methyl(propan-2-yl)amino]phenyl]boronic acid?
The IUPAC name of [4-[methyl(propan-2-yl)amino]phenyl]boronic acid (CID 119088418) is [4-[methyl(propan-2-yl)amino]phenyl]boronic acid.
What is the SMILES notation for [4-[methyl(propan-2-yl)amino]phenyl]boronic acid?
The canonical SMILES for [4-[methyl(propan-2-yl)amino]phenyl]boronic acid is CC(C)N(C)c1ccc(B(O)O)cc1.
What is the InChIKey of [4-[methyl(propan-2-yl)amino]phenyl]boronic acid?
The InChIKey is ZFIWRROCELNVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BNO2/c1-8(2)12(3)10-6-4-9(5-7-10)11(13)14/h4-8,13-14H,1-3H3.
What are the key properties of [4-[methyl(propan-2-yl)amino]phenyl]boronic acid?
[4-[methyl(propan-2-yl)amino]phenyl]boronic acid has a molecular weight of 193.06 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[methyl(propan-2-yl)amino]phenyl]boronic acid is sourced from PubChem (CID 119088418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).