(E)-N-diphenylphosphoryloxy-1-phenylethanimine

C20H18NO2P — CID 139061986

IUPAC(E)-N-diphenylphosphoryloxy-1-phenylethanimine
SMILESC/C(=N\OP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18NO2P/c1-17(18-11-5-2-6-12-18)21-23-24(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3/b21-17+
InChIKeyHUVCEDUIGDRNMO-HEHNFIMWSA-N
MW335.34 g/mol
LogP4.36
Rot. Bonds5

About (E)-N-diphenylphosphoryloxy-1-phenylethanimine

(E)-N-diphenylphosphoryloxy-1-phenylethanimine (PubChem CID 139061986) has the molecular formula C20H18NO2P and a molecular weight of 335.34 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryloxy-1-phenylethanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryloxy-1-phenylethanimine
PubChem CID139061986
Molecular FormulaC20H18NO2P
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name(E)-N-diphenylphosphoryloxy-1-phenylethanimine
SMILESC/C(=N\OP(=O)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H18NO2P/c1-17(18-11-5-2-6-12-18)21-23-24(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3/b21-17+
InChIKeyHUVCEDUIGDRNMO-HEHNFIMWSA-N
XLogP4.36
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-bis(3-fluorophenyl)phosphoryloxy-2,3-dihydroinden-1-imine
CID 153521989
(E)-N-diphenylphosphoryloxy-1-(2-fluorophenyl)ethanimine
CID 153522001
(E)-N-bis(4-fluorophenyl)phosphoryloxy-2,3-dihydroinden-1-imine
CID 153522002
N-(diphenylphosphinyl)acetophenoneimine
CID 85073507
(E)-N-diphenylphosphoryl-1-phenylethanimine
CID 9944887
(E)-N-diphenylphosphoryl-1-phenylpropan-1-imine
CID 13736338
(E)-N-diphenylphosphoryl-1-(4-fluorophenyl)ethanimine
CID 44178551
(E)-N-diphenylphosphinothioyl-1-(4-fluorophenyl)ethanimine
CID 71528482
(E)-N-diphenylphosphinothioyl-1-(2-fluorophenyl)ethanimine
CID 135071957
(E)-N-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 135079886
(E)-N-diphenylphosphoryloxy-5-fluoro-2,3-dihydroinden-1-imine
CID 162411968
(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine
CID 162411972

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryloxy-1-phenylethanimine?
The IUPAC name of (E)-N-diphenylphosphoryloxy-1-phenylethanimine (CID 139061986) is (E)-N-diphenylphosphoryloxy-1-phenylethanimine.
What is the SMILES notation for (E)-N-diphenylphosphoryloxy-1-phenylethanimine?
The canonical SMILES for (E)-N-diphenylphosphoryloxy-1-phenylethanimine is C/C(=N\OP(=O)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryloxy-1-phenylethanimine?
The InChIKey is HUVCEDUIGDRNMO-HEHNFIMWSA-N. The full InChI is InChI=1S/C20H18NO2P/c1-17(18-11-5-2-6-12-18)21-23-24(22,19-13-7-3-8-14-19)20-15-9-4-10-16-20/h2-16H,1H3/b21-17+.
What are the key properties of (E)-N-diphenylphosphoryloxy-1-phenylethanimine?
(E)-N-diphenylphosphoryloxy-1-phenylethanimine has a molecular weight of 335.34 g/mol, XLogP of 4.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryloxy-1-phenylethanimine is sourced from PubChem (CID 139061986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).