4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine

C12H18BNO2 — CID 57446162

IUPAC4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine
SMILESCC1(C)OB(Nc2ccccc2)OC1(C)C
InChIInChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)14-10-8-6-5-7-9-10/h5-9,14H,1-4H3
InChIKeyDLAJQEFZFUKNBV-UHFFFAOYSA-N
MW219.09 g/mol
LogP2.69
Rot. Bonds2

About 4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine

4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine (PubChem CID 57446162) has the molecular formula C12H18BNO2 and a molecular weight of 219.09 g/mol. Its IUPAC name is 4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine.

Molecular Properties

Compound Name4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine
PubChem CID57446162
Molecular FormulaC12H18BNO2
Molecular Weight219.09 g/mol
Exact Mass219.14
IUPAC Name4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine
SMILESCC1(C)OB(Nc2ccccc2)OC1(C)C
InChIInChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)14-10-8-6-5-7-9-10/h5-9,14H,1-4H3
InChIKeyDLAJQEFZFUKNBV-UHFFFAOYSA-N
XLogP2.69
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.09
LogP ≤ 52.69
H-Bond Donors ≤ 51
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 4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine?
The IUPAC name of 4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine (CID 57446162) is 4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine.
What is the SMILES notation for 4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine?
The canonical SMILES for 4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine is CC1(C)OB(Nc2ccccc2)OC1(C)C.
What is the InChIKey of 4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine?
The InChIKey is DLAJQEFZFUKNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BNO2/c1-11(2)12(3,4)16-13(15-11)14-10-8-6-5-7-9-10/h5-9,14H,1-4H3.
What are the key properties of 4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine?
4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine has a molecular weight of 219.09 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5,5-tetramethyl-N-phenyl-1,3,2-dioxaborolan-2-amine is sourced from PubChem (CID 57446162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).