1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine

C15H22BNO2 — CID 46739663

IUPAC1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine
SMILESCC1(C)OB(c2ccc(C3(N)CC3)cc2)OC1(C)C
InChIInChI=1S/C15H22BNO2/c1-13(2)14(3,4)19-16(18-13)12-7-5-11(6-8-12)15(17)9-10-15/h5-8H,9-10,17H2,1-4H3
InChIKeyJFDKYEZOPPTXLD-UHFFFAOYSA-N
MW259.16 g/mol
LogP1.93
Rot. Bonds2

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

1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine (PubChem CID 46739663) has the molecular formula C15H22BNO2 and a molecular weight of 259.16 g/mol. Its IUPAC name is 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine
PubChem CID46739663
Molecular FormulaC15H22BNO2
Molecular Weight259.16 g/mol
Exact Mass259.17
IUPAC Name1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine
SMILESCC1(C)OB(c2ccc(C3(N)CC3)cc2)OC1(C)C
InChIInChI=1S/C15H22BNO2/c1-13(2)14(3,4)19-16(18-13)12-7-5-11(6-8-12)15(17)9-10-15/h5-8H,9-10,17H2,1-4H3
InChIKeyJFDKYEZOPPTXLD-UHFFFAOYSA-N
XLogP1.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine 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 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine?
The IUPAC name of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine (CID 46739663) is 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine?
The canonical SMILES for 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine is CC1(C)OB(c2ccc(C3(N)CC3)cc2)OC1(C)C.
What is the InChIKey of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine?
The InChIKey is JFDKYEZOPPTXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BNO2/c1-13(2)14(3,4)19-16(18-13)12-7-5-11(6-8-12)15(17)9-10-15/h5-8H,9-10,17H2,1-4H3.
What are the key properties of 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine?
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine has a molecular weight of 259.16 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropan-1-amine is sourced from PubChem (CID 46739663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).