(E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine

C20H18NO2P — CID 11371070

IUPAC(E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine
SMILESCOc1cccc(/C=N/P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H18NO2P/c1-23-18-10-8-9-17(15-18)16-21-24(22,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-16H,1H3/b21-16+
InChIKeyIHGNICIJOMROER-LTGZKZEYSA-N
MW335.34 g/mol
LogP4.04
Rot. Bonds5

About (E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine

(E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine (PubChem CID 11371070) has the molecular formula C20H18NO2P and a molecular weight of 335.34 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine
PubChem CID11371070
Molecular FormulaC20H18NO2P
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name(E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine
SMILESCOc1cccc(/C=N/P(=O)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H18NO2P/c1-23-18-10-8-9-17(15-18)16-21-24(22,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-16H,1H3/b21-16+
InChIKeyIHGNICIJOMROER-LTGZKZEYSA-N
XLogP4.04
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine?
The IUPAC name of (E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine (CID 11371070) is (E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine?
The canonical SMILES for (E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine is COc1cccc(/C=N/P(=O)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine?
The InChIKey is IHGNICIJOMROER-LTGZKZEYSA-N. The full InChI is InChI=1S/C20H18NO2P/c1-23-18-10-8-9-17(15-18)16-21-24(22,19-11-4-2-5-12-19)20-13-6-3-7-14-20/h2-16H,1H3/b21-16+.
What are the key properties of (E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine?
(E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine has a molecular weight of 335.34 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-1-(3-methoxyphenyl)methanimine is sourced from PubChem (CID 11371070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).