2-diphenylboranyloxyethanamine

C14H16BNO — CID 1598

IUPAC2-diphenylboranyloxyethanamine
SMILESNCCOB(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
InChIKeyBLZVCIGGICSWIG-UHFFFAOYSA-N
MW225.10 g/mol
LogP0.77
Rot. Bonds5

About 2-diphenylboranyloxyethanamine

2-diphenylboranyloxyethanamine (PubChem CID 1598) has the molecular formula C14H16BNO and a molecular weight of 225.10 g/mol. Its IUPAC name is 2-diphenylboranyloxyethanamine.

Molecular Properties

Compound Name2-diphenylboranyloxyethanamine
PubChem CID1598
Molecular FormulaC14H16BNO
Molecular Weight225.10 g/mol
Exact Mass225.13
IUPAC Name2-diphenylboranyloxyethanamine
SMILESNCCOB(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
InChIKeyBLZVCIGGICSWIG-UHFFFAOYSA-N
XLogP0.77
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-diphenylboranyloxyethanamine?
The IUPAC name of 2-diphenylboranyloxyethanamine (CID 1598) is 2-diphenylboranyloxyethanamine.
What is the SMILES notation for 2-diphenylboranyloxyethanamine?
The canonical SMILES for 2-diphenylboranyloxyethanamine is NCCOB(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylboranyloxyethanamine?
The InChIKey is BLZVCIGGICSWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BNO/c16-11-12-17-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2.
What are the key properties of 2-diphenylboranyloxyethanamine?
2-diphenylboranyloxyethanamine has a molecular weight of 225.10 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylboranyloxyethanamine is sourced from PubChem (CID 1598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).