(E)-2-diphenylphosphoryl-N,N-diethylethenamine

C18H22NOP — CID 13215077

IUPAC(E)-2-diphenylphosphoryl-N,N-diethylethenamine
SMILESCCN(/C=C/P(=O)(c1ccccc1)c1ccccc1)CC
InChIInChI=1S/C18H22NOP/c1-3-19(4-2)15-16-21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/b16-15+
InChIKeyOUFWKVVNBYXMHZ-FOCLMDBBSA-N
MW299.35 g/mol
LogP3.81
Rot. Bonds6

About (E)-2-diphenylphosphoryl-N,N-diethylethenamine

(E)-2-diphenylphosphoryl-N,N-diethylethenamine (PubChem CID 13215077) has the molecular formula C18H22NOP and a molecular weight of 299.35 g/mol. Its IUPAC name is (E)-2-diphenylphosphoryl-N,N-diethylethenamine.

Molecular Properties

Compound Name(E)-2-diphenylphosphoryl-N,N-diethylethenamine
PubChem CID13215077
Molecular FormulaC18H22NOP
Molecular Weight299.35 g/mol
Exact Mass299.14
IUPAC Name(E)-2-diphenylphosphoryl-N,N-diethylethenamine
SMILESCCN(/C=C/P(=O)(c1ccccc1)c1ccccc1)CC
InChIInChI=1S/C18H22NOP/c1-3-19(4-2)15-16-21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/b16-15+
InChIKeyOUFWKVVNBYXMHZ-FOCLMDBBSA-N
XLogP3.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[(1E,3E)-4-diphenylphosphorylbuta-1,3-dienyl]-phenylphosphoryl]benzene
CID 102152479
N-butyl-N-[(E)-3-diphenylphosphorylprop-2-enyl]butan-1-amine
CID 10970672
[but-1-enyl(phenyl)phosphoryl]benzene
CID 177466990
[3,3-dimethylbut-1-enyl(phenyl)phosphoryl]benzene
CID 71360809
[3-ethylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
CID 154719570
dichloromethane;[(E)-2-diphenylphosphorylethenyl]-diphenyl-sulfanylidene-λ5-phosphane;gold(1+);chloride
CID 139088086
[3-methylpenta-1,2-dienyl(phenyl)phosphoryl]benzene
CID 164687316
N,N-dibenzylformamide;N,N-diethylformamide;methane
CID 160532713
CID 16745118
CID 16745118
[ethyl(fluoro)phosphoryl]benzene
CID 23415746
2-(2-diphenylphosphorylethenyl)thiophene
CID 73098727
[octa-1,2-dienyl(phenyl)phosphoryl]benzene
CID 25111722

Frequently Asked Questions

What is the IUPAC name of (E)-2-diphenylphosphoryl-N,N-diethylethenamine?
The IUPAC name of (E)-2-diphenylphosphoryl-N,N-diethylethenamine (CID 13215077) is (E)-2-diphenylphosphoryl-N,N-diethylethenamine.
What is the SMILES notation for (E)-2-diphenylphosphoryl-N,N-diethylethenamine?
The canonical SMILES for (E)-2-diphenylphosphoryl-N,N-diethylethenamine is CCN(/C=C/P(=O)(c1ccccc1)c1ccccc1)CC.
What is the InChIKey of (E)-2-diphenylphosphoryl-N,N-diethylethenamine?
The InChIKey is OUFWKVVNBYXMHZ-FOCLMDBBSA-N. The full InChI is InChI=1S/C18H22NOP/c1-3-19(4-2)15-16-21(20,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5-16H,3-4H2,1-2H3/b16-15+.
What are the key properties of (E)-2-diphenylphosphoryl-N,N-diethylethenamine?
(E)-2-diphenylphosphoryl-N,N-diethylethenamine has a molecular weight of 299.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-diphenylphosphoryl-N,N-diethylethenamine is sourced from PubChem (CID 13215077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).