(E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine

C19H24NO3P — CID 14908454

IUPAC(E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine
SMILESCCOP(=O)(OCC)C(Cc1ccccc1)/N=C/c1ccccc1
InChIInChI=1S/C19H24NO3P/c1-3-22-24(21,23-4-2)19(15-17-11-7-5-8-12-17)20-16-18-13-9-6-10-14-18/h5-14,16,19H,3-4,15H2,1-2H3/b20-16+
InChIKeyNGXRKJDJDYZZLD-CAPFRKAQSA-N
MW345.38 g/mol
LogP4.94
Rot. Bonds9

About (E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine

(E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine (PubChem CID 14908454) has the molecular formula C19H24NO3P and a molecular weight of 345.38 g/mol. Its IUPAC name is (E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine
PubChem CID14908454
Molecular FormulaC19H24NO3P
Molecular Weight345.38 g/mol
Exact Mass345.15
IUPAC Name(E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine
SMILESCCOP(=O)(OCC)C(Cc1ccccc1)/N=C/c1ccccc1
InChIInChI=1S/C19H24NO3P/c1-3-22-24(21,23-4-2)19(15-17-11-7-5-8-12-17)20-16-18-13-9-6-10-14-18/h5-14,16,19H,3-4,15H2,1-2H3/b20-16+
InChIKeyNGXRKJDJDYZZLD-CAPFRKAQSA-N
XLogP4.94
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-N-[(2R)-1-phenylbutan-2-yl]methanimine
CID 101228491
(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine
CID 6157504
N-(2-diethoxyphosphorylethyl)-1-phenylmethanimine
CID 172686597
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine
CID 23417708
2-(benzylideneamino)-3-phenylpropanoic acid
CID 12560761
(E,1S)-1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 12543687
1-diethoxyphosphoryl-3-phenylprop-2-en-1-ol
CID 71366492
(2-diethoxyphosphorylsulfanyl-2-phenylethyl)benzene
CID 10545806
(1-diethoxyphosphoryl-3-phenylpropyl) diethyl phosphate
CID 10454120
[(E)-1-diethoxyphosphoryl-3-phenylprop-2-enyl]-trimethylsilane
CID 10568157
4,4-bis(diethoxyphosphoryl)butylbenzene
CID 10150860

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine?
The IUPAC name of (E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine (CID 14908454) is (E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine.
What is the SMILES notation for (E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine?
The canonical SMILES for (E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine is CCOP(=O)(OCC)C(Cc1ccccc1)/N=C/c1ccccc1.
What is the InChIKey of (E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine?
The InChIKey is NGXRKJDJDYZZLD-CAPFRKAQSA-N. The full InChI is InChI=1S/C19H24NO3P/c1-3-22-24(21,23-4-2)19(15-17-11-7-5-8-12-17)20-16-18-13-9-6-10-14-18/h5-14,16,19H,3-4,15H2,1-2H3/b20-16+.
What are the key properties of (E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine?
(E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine has a molecular weight of 345.38 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine is sourced from PubChem (CID 14908454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).