N-diphenylphosphoryl-N-ethylethanamine

C16H20NOP — CID 3727361

IUPACN-diphenylphosphoryl-N-ethylethanamine
SMILESCCN(CC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20NOP/c1-3-17(4-2)19(18,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyLKNWLVNNBLWNGG-UHFFFAOYSA-N
MW273.32 g/mol
LogP3.26
Rot. Bonds5

About N-diphenylphosphoryl-N-ethylethanamine

N-diphenylphosphoryl-N-ethylethanamine (PubChem CID 3727361) has the molecular formula C16H20NOP and a molecular weight of 273.32 g/mol. Its IUPAC name is N-diphenylphosphoryl-N-ethylethanamine.

Molecular Properties

Compound NameN-diphenylphosphoryl-N-ethylethanamine
PubChem CID3727361
Molecular FormulaC16H20NOP
Molecular Weight273.32 g/mol
Exact Mass273.13
IUPAC NameN-diphenylphosphoryl-N-ethylethanamine
SMILESCCN(CC)P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20NOP/c1-3-17(4-2)19(18,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyLKNWLVNNBLWNGG-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-diphenylphosphoryl-N-ethylethanamine?
The IUPAC name of N-diphenylphosphoryl-N-ethylethanamine (CID 3727361) is N-diphenylphosphoryl-N-ethylethanamine.
What is the SMILES notation for N-diphenylphosphoryl-N-ethylethanamine?
The canonical SMILES for N-diphenylphosphoryl-N-ethylethanamine is CCN(CC)P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of N-diphenylphosphoryl-N-ethylethanamine?
The InChIKey is LKNWLVNNBLWNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NOP/c1-3-17(4-2)19(18,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of N-diphenylphosphoryl-N-ethylethanamine?
N-diphenylphosphoryl-N-ethylethanamine has a molecular weight of 273.32 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-diphenylphosphoryl-N-ethylethanamine is sourced from PubChem (CID 3727361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).