2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine

C16H24BNO2 — CID 68761585

IUPAC2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine
SMILESCC1(C)OB(C=Cc2ccc(CCN)cc2)OC1(C)C
InChIInChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)11-9-13-5-7-14(8-6-13)10-12-18/h5-9,11H,10,12,18H2,1-4H3
InChIKeyYOCWJNFAILKOSD-UHFFFAOYSA-N
MW273.19 g/mol
LogP2.83
Rot. Bonds4

About 2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine

2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine (PubChem CID 68761585) has the molecular formula C16H24BNO2 and a molecular weight of 273.19 g/mol. Its IUPAC name is 2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine
PubChem CID68761585
Molecular FormulaC16H24BNO2
Molecular Weight273.19 g/mol
Exact Mass273.19
IUPAC Name2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine
SMILESCC1(C)OB(C=Cc2ccc(CCN)cc2)OC1(C)C
InChIInChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)11-9-13-5-7-14(8-6-13)10-12-18/h5-9,11H,10,12,18H2,1-4H3
InChIKeyYOCWJNFAILKOSD-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine?
The IUPAC name of 2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine (CID 68761585) is 2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine.
What is the SMILES notation for 2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine?
The canonical SMILES for 2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine is CC1(C)OB(C=Cc2ccc(CCN)cc2)OC1(C)C.
What is the InChIKey of 2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine?
The InChIKey is YOCWJNFAILKOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BNO2/c1-15(2)16(3,4)20-17(19-15)11-9-13-5-7-14(8-6-13)10-12-18/h5-9,11H,10,12,18H2,1-4H3.
What are the key properties of 2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine?
2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine has a molecular weight of 273.19 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]ethanamine is sourced from PubChem (CID 68761585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).