2-diphenylphosphoryl-N,N-dimethylethanamine

C16H20NOP — CID 796914

IUPAC2-diphenylphosphoryl-N,N-dimethylethanamine
SMILESCN(C)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20NOP/c1-17(2)13-14-19(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyWTFJMSFVGMRGBQ-UHFFFAOYSA-N
MW273.32 g/mol
LogP2.56
Rot. Bonds5

About 2-diphenylphosphoryl-N,N-dimethylethanamine

2-diphenylphosphoryl-N,N-dimethylethanamine (PubChem CID 796914) has the molecular formula C16H20NOP and a molecular weight of 273.32 g/mol. Its IUPAC name is 2-diphenylphosphoryl-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-diphenylphosphoryl-N,N-dimethylethanamine
PubChem CID796914
Molecular FormulaC16H20NOP
Molecular Weight273.32 g/mol
Exact Mass273.13
IUPAC Name2-diphenylphosphoryl-N,N-dimethylethanamine
SMILESCN(C)CCP(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C16H20NOP/c1-17(2)13-14-19(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3
InChIKeyWTFJMSFVGMRGBQ-UHFFFAOYSA-N
XLogP2.56
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 52.56
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-dimethylethanamine?
The IUPAC name of 2-diphenylphosphoryl-N,N-dimethylethanamine (CID 796914) is 2-diphenylphosphoryl-N,N-dimethylethanamine.
What is the SMILES notation for 2-diphenylphosphoryl-N,N-dimethylethanamine?
The canonical SMILES for 2-diphenylphosphoryl-N,N-dimethylethanamine is CN(C)CCP(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-diphenylphosphoryl-N,N-dimethylethanamine?
The InChIKey is WTFJMSFVGMRGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NOP/c1-17(2)13-14-19(18,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3.
What are the key properties of 2-diphenylphosphoryl-N,N-dimethylethanamine?
2-diphenylphosphoryl-N,N-dimethylethanamine has a molecular weight of 273.32 g/mol, XLogP of 2.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-diphenylphosphoryl-N,N-dimethylethanamine is sourced from PubChem (CID 796914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).