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

C10H12BNO2 — CID 140881603

IUPAC3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(B2OC=CO2)c1
InChIInChI=1S/C10H12BNO2/c1-12(2)10-5-3-4-9(8-10)11-13-6-7-14-11/h3-8H,1-2H3
InChIKeyKEYVEXOVGIEXMD-UHFFFAOYSA-N
MW189.02 g/mol
LogP0.97
Rot. Bonds2

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

3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline (PubChem CID 140881603) has the molecular formula C10H12BNO2 and a molecular weight of 189.02 g/mol. Its IUPAC name is 3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline.

Molecular Properties

Compound Name3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline
PubChem CID140881603
Molecular FormulaC10H12BNO2
Molecular Weight189.02 g/mol
Exact Mass189.10
IUPAC Name3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline
SMILESCN(C)c1cccc(B2OC=CO2)c1
InChIInChI=1S/C10H12BNO2/c1-12(2)10-5-3-4-9(8-10)11-13-6-7-14-11/h3-8H,1-2H3
InChIKeyKEYVEXOVGIEXMD-UHFFFAOYSA-N
XLogP0.97
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.02
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;1-N,1-N,3-N,3-N-tetramethylbenzene-1,3-diamine
CID 90858464
magnesium;3-bromo-N,N-dimethylaniline;hydride
CID 173417698
CID 138691650
CID 138691650
2-[N-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)anilino]acetic acid
CID 91338145
N-methyl-N-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanesulfonamide
CID 57416160
1-N,1-N,3-N,3-N-tetrakis(trimethylsilyl)benzene-1,3-diamine
CID 15443940
3-(dimethylamino)phenol;ethane
CID 174543999
3-fluoro-N,N-dimethylaniline;methane
CID 157466440
3-N-(4-methoxyphenyl)-1-N,1-N,3-N-trimethylbenzene-1,3-diamine
CID 110455032
N,N-dimethylaniline
CID 70392672
bis[3-(dimethylamino)phenyl]methanone
CID 14534104
N,N-dimethyl-3-trichlorosilylaniline
CID 151389287

Frequently Asked Questions

What is the IUPAC name of 3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline?
The IUPAC name of 3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline (CID 140881603) is 3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline.
What is the SMILES notation for 3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline?
The canonical SMILES for 3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline is CN(C)c1cccc(B2OC=CO2)c1.
What is the InChIKey of 3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline?
The InChIKey is KEYVEXOVGIEXMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BNO2/c1-12(2)10-5-3-4-9(8-10)11-13-6-7-14-11/h3-8H,1-2H3.
What are the key properties of 3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline?
3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline has a molecular weight of 189.02 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3,2-dioxaborol-2-yl)-N,N-dimethylaniline is sourced from PubChem (CID 140881603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).