2-Aminoethoxyphenyl-borane

C8H11BNO — CID 20654602

IUPAC—
SMILESNCCO[B]c1ccccc1
InChIInChI=1S/C8H11BNO/c10-6-7-11-9-8-4-2-1-3-5-8/h1-5H,6-7,10H2
InChIKeyKYSFCKDUSVEDIM-UHFFFAOYSA-N
MW147.99 g/mol
LogP-0.09
Rot. Bonds4

About 2-Aminoethoxyphenyl-borane

2-Aminoethoxyphenyl-borane (PubChem CID 20654602) has the molecular formula C8H11BNO and a molecular weight of 147.99 g/mol.

Molecular Properties

Compound Name2-Aminoethoxyphenyl-borane
PubChem CID20654602
Molecular FormulaC8H11BNO
Molecular Weight147.99 g/mol
Exact Mass148.09
IUPAC Name—
SMILESNCCO[B]c1ccccc1
InChIInChI=1S/C8H11BNO/c10-6-7-11-9-8-4-2-1-3-5-8/h1-5H,6-7,10H2
InChIKeyKYSFCKDUSVEDIM-UHFFFAOYSA-N
XLogP-0.09
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.99
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-Aminoethoxyphenyl-borane?
The IUPAC name of 2-Aminoethoxyphenyl-borane (CID 20654602) is not available.
What is the SMILES notation for 2-Aminoethoxyphenyl-borane?
The canonical SMILES for 2-Aminoethoxyphenyl-borane is NCCO[B]c1ccccc1.
What is the InChIKey of 2-Aminoethoxyphenyl-borane?
The InChIKey is KYSFCKDUSVEDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BNO/c10-6-7-11-9-8-4-2-1-3-5-8/h1-5H,6-7,10H2.
What are the key properties of 2-Aminoethoxyphenyl-borane?
2-Aminoethoxyphenyl-borane has a molecular weight of 147.99 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Aminoethoxyphenyl-borane is sourced from PubChem (CID 20654602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).