2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline

C10H14BNO2 — CID 140881676

IUPAC2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1B1OCCO1
InChIInChI=1S/C10H14BNO2/c1-12(2)10-6-4-3-5-9(10)11-13-7-8-14-11/h3-6H,7-8H2,1-2H3
InChIKeyNVGLNPSAZOYPNW-UHFFFAOYSA-N
MW191.04 g/mol
LogP0.49
Rot. Bonds2

About 2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline

2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline (PubChem CID 140881676) has the molecular formula C10H14BNO2 and a molecular weight of 191.04 g/mol. Its IUPAC name is 2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline
PubChem CID140881676
Molecular FormulaC10H14BNO2
Molecular Weight191.04 g/mol
Exact Mass191.11
IUPAC Name2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1ccccc1B1OCCO1
InChIInChI=1S/C10H14BNO2/c1-12(2)10-6-4-3-5-9(10)11-13-7-8-14-11/h3-6H,7-8H2,1-2H3
InChIKeyNVGLNPSAZOYPNW-UHFFFAOYSA-N
XLogP0.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.04
LogP ≤ 50.49
H-Bond Donors ≤ 50
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 2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline?
The IUPAC name of 2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline (CID 140881676) is 2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline is CN(C)c1ccccc1B1OCCO1.
What is the InChIKey of 2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline?
The InChIKey is NVGLNPSAZOYPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BNO2/c1-12(2)10-6-4-3-5-9(10)11-13-7-8-14-11/h3-6H,7-8H2,1-2H3.
What are the key properties of 2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline?
2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline has a molecular weight of 191.04 g/mol, XLogP of 0.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3,2-dioxaborolan-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 140881676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).