2-diphenylboranylethanamine

C14H16BN — CID 19796096

IUPAC2-diphenylboranylethanamine
SMILESNCCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BN/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
InChIKeyDRTQXUJAHCYKQG-UHFFFAOYSA-N
MW209.10 g/mol
LogP1.25
Rot. Bonds4

About 2-diphenylboranylethanamine

2-diphenylboranylethanamine (PubChem CID 19796096) has the molecular formula C14H16BN and a molecular weight of 209.10 g/mol. Its IUPAC name is 2-diphenylboranylethanamine.

Molecular Properties

Compound Name2-diphenylboranylethanamine
PubChem CID19796096
Molecular FormulaC14H16BN
Molecular Weight209.10 g/mol
Exact Mass209.14
IUPAC Name2-diphenylboranylethanamine
SMILESNCCB(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H16BN/c16-12-11-15(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,16H2
InChIKeyDRTQXUJAHCYKQG-UHFFFAOYSA-N
XLogP1.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-diphenylboranylethanamine?
The IUPAC name of 2-diphenylboranylethanamine (CID 19796096) is 2-diphenylboranylethanamine.
What is the SMILES notation for 2-diphenylboranylethanamine?
The canonical SMILES for 2-diphenylboranylethanamine is NCCB(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylboranylethanamine?
The InChIKey is DRTQXUJAHCYKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BN/c16-12-11-15(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-diphenylboranylethanamine?
2-diphenylboranylethanamine has a molecular weight of 209.10 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylboranylethanamine is sourced from PubChem (CID 19796096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).