2-diphenylphosphoryl-N,N-diethylethanamine

C18H24NOP — CID 785453

IUPAC2-diphenylphosphoryl-N,N-diethylethanamine
SMILESCCN(CC)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NOP/c1-3-19(4-2)15-16-21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyDRWZABOPWAFOBK-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.34
Rot. Bonds7

About 2-diphenylphosphoryl-N,N-diethylethanamine

2-diphenylphosphoryl-N,N-diethylethanamine (PubChem CID 785453) has the molecular formula C18H24NOP and a molecular weight of 301.37 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N,N-diethylethanamine.

Molecular Properties

Compound Name2-diphenylphosphoryl-N,N-diethylethanamine
PubChem CID785453
Molecular FormulaC18H24NOP
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC Name2-diphenylphosphoryl-N,N-diethylethanamine
SMILESCCN(CC)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24NOP/c1-3-19(4-2)15-16-21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3
InChIKeyDRWZABOPWAFOBK-UHFFFAOYSA-N
XLogP3.34
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-diphenylphosphoryl-N,N-diethylethanamine?
The IUPAC name of 2-diphenylphosphoryl-N,N-diethylethanamine (CID 785453) is 2-diphenylphosphoryl-N,N-diethylethanamine.
What is the SMILES notation for 2-diphenylphosphoryl-N,N-diethylethanamine?
The canonical SMILES for 2-diphenylphosphoryl-N,N-diethylethanamine is CCN(CC)CCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N,N-diethylethanamine?
The InChIKey is DRWZABOPWAFOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24NOP/c1-3-19(4-2)15-16-21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-N,N-diethylethanamine?
2-diphenylphosphoryl-N,N-diethylethanamine has a molecular weight of 301.37 g/mol, XLogP of 3.34, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N,N-diethylethanamine is sourced from PubChem (CID 785453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).