N-diphenylboranyl-N-ethylethanamine

C16H20BN — CID 5326245

IUPACN-diphenylboranyl-N-ethylethanamine
SMILESCCN(CC)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20BN/c1-3-18(4-2)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyAHBAWBJVRGDSIU-UHFFFAOYSA-N
MW237.16 g/mol
LogP2.13
Rot. Bonds5

About N-diphenylboranyl-N-ethylethanamine

N-diphenylboranyl-N-ethylethanamine (PubChem CID 5326245) has the molecular formula C16H20BN and a molecular weight of 237.16 g/mol. Its IUPAC name is N-diphenylboranyl-N-ethylethanamine.

Molecular Properties

Compound NameN-diphenylboranyl-N-ethylethanamine
PubChem CID5326245
Molecular FormulaC16H20BN
Molecular Weight237.16 g/mol
Exact Mass237.17
IUPAC NameN-diphenylboranyl-N-ethylethanamine
SMILESCCN(CC)B(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20BN/c1-3-18(4-2)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyAHBAWBJVRGDSIU-UHFFFAOYSA-N
XLogP2.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.16
LogP ≤ 52.13
H-Bond Donors ≤ 50
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 N-diphenylboranyl-N-ethylethanamine?
The IUPAC name of N-diphenylboranyl-N-ethylethanamine (CID 5326245) is N-diphenylboranyl-N-ethylethanamine.
What is the SMILES notation for N-diphenylboranyl-N-ethylethanamine?
The canonical SMILES for N-diphenylboranyl-N-ethylethanamine is CCN(CC)B(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylboranyl-N-ethylethanamine?
The InChIKey is AHBAWBJVRGDSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BN/c1-3-18(4-2)17(15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of N-diphenylboranyl-N-ethylethanamine?
N-diphenylboranyl-N-ethylethanamine has a molecular weight of 237.16 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylboranyl-N-ethylethanamine is sourced from PubChem (CID 5326245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).