(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine

C19H24NO4P — CID 6157504

IUPAC(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine
SMILESCCOP(=O)(OCC)C(/N=C/c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H24NO4P/c1-4-23-25(21,24-5-2)19(17-9-7-6-8-10-17)20-15-16-11-13-18(22-3)14-12-16/h6-15,19H,4-5H2,1-3H3/b20-15+
InChIKeyPZMKKTCBUONWCW-HMMYKYKNSA-N
MW361.38 g/mol
LogP5.08
Rot. Bonds9

About (E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine

(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine (PubChem CID 6157504) has the molecular formula C19H24NO4P and a molecular weight of 361.38 g/mol. Its IUPAC name is (E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine
PubChem CID6157504
Molecular FormulaC19H24NO4P
Molecular Weight361.38 g/mol
Exact Mass361.14
IUPAC Name(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine
SMILESCCOP(=O)(OCC)C(/N=C/c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C19H24NO4P/c1-4-23-25(21,24-5-2)19(17-9-7-6-8-10-17)20-15-16-11-13-18(22-3)14-12-16/h6-15,19H,4-5H2,1-3H3/b20-15+
InChIKeyPZMKKTCBUONWCW-HMMYKYKNSA-N
XLogP5.08
TPSA57.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.38
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[diethoxyphosphoryl(nitroso)methyl]-4-methoxybenzene
CID 90848416
1-(4-methoxyphenyl)-N-[(1S)-1-phenylethyl]methanimine
CID 778491
(E)-N-(1-diethoxyphosphoryl-2-phenylethyl)-1-phenylmethanimine
CID 14908454
(E)-1-(1-chlorocyclohexyl)-N-[diethoxyphosphoryl(phenyl)methyl]methanimine
CID 23420902
N-[[diethoxy(phenylimino)-λ5-phosphanyl]-phenylmethyl]-1-phenylmethanimine
CID 23417708
bis(diethoxyphosphoryl)methylbenzene
CID 11132243
1-[4-(4-methoxyphenyl)phenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101125000
(E)-1-(4-methoxyphenyl)-N-[(4-methoxyphenyl)-phenylsulfanylmethyl]methanimine
CID 11057576
ethyl 2-(4-methoxyphenyl)-2-[(4-methoxyphenyl)methylideneamino]acetate
CID 101131689
N-[(E)-(4-methoxyphenyl)methylideneamino]-2,2-diphenylacetamide
CID 6873111
1-[diethoxyphosphoryl-(4-methoxyphenyl)methyl]-4-methylbenzene
CID 71606452
(2R)-2-hydroxy-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-phenylacetamide
CID 40516770

Frequently Asked Questions

What is the IUPAC name of (E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine?
The IUPAC name of (E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine (CID 6157504) is (E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine?
The canonical SMILES for (E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine is CCOP(=O)(OCC)C(/N=C/c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of (E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine?
The InChIKey is PZMKKTCBUONWCW-HMMYKYKNSA-N. The full InChI is InChI=1S/C19H24NO4P/c1-4-23-25(21,24-5-2)19(17-9-7-6-8-10-17)20-15-16-11-13-18(22-3)14-12-16/h6-15,19H,4-5H2,1-3H3/b20-15+.
What are the key properties of (E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine?
(E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine has a molecular weight of 361.38 g/mol, XLogP of 5.08, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[diethoxyphosphoryl(phenyl)methyl]-1-(4-methoxyphenyl)methanimine is sourced from PubChem (CID 6157504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).