1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine

C21H28NO3P — CID 89214610

IUPAC1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine
SMILESCCC(Pc1ccc(C)cc1/C=N/C)c1cc(OC)ccc1OCOC
InChIInChI=1S/C21H28NO3P/c1-6-20(26-21-10-7-15(2)11-16(21)13-22-3)18-12-17(24-5)8-9-19(18)25-14-23-4/h7-13,20,26H,6,14H2,1-5H3/b22-13+
InChIKeyPLYAPUDFEGWHLR-LPYMAVHISA-N
MW373.43 g/mol
LogP4.49
Rot. Bonds9

About 1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine

1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine (PubChem CID 89214610) has the molecular formula C21H28NO3P and a molecular weight of 373.43 g/mol. Its IUPAC name is 1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine
PubChem CID89214610
Molecular FormulaC21H28NO3P
Molecular Weight373.43 g/mol
Exact Mass373.18
IUPAC Name1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine
SMILESCCC(Pc1ccc(C)cc1/C=N/C)c1cc(OC)ccc1OCOC
InChIInChI=1S/C21H28NO3P/c1-6-20(26-21-10-7-15(2)11-16(21)13-22-3)18-12-17(24-5)8-9-19(18)25-14-23-4/h7-13,20,26H,6,14H2,1-5H3/b22-13+
InChIKeyPLYAPUDFEGWHLR-LPYMAVHISA-N
XLogP4.49
TPSA40.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine?
The IUPAC name of 1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine (CID 89214610) is 1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine.
What is the SMILES notation for 1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine?
The canonical SMILES for 1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine is CCC(Pc1ccc(C)cc1/C=N/C)c1cc(OC)ccc1OCOC.
What is the InChIKey of 1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine?
The InChIKey is PLYAPUDFEGWHLR-LPYMAVHISA-N. The full InChI is InChI=1S/C21H28NO3P/c1-6-20(26-21-10-7-15(2)11-16(21)13-22-3)18-12-17(24-5)8-9-19(18)25-14-23-4/h7-13,20,26H,6,14H2,1-5H3/b22-13+.
What are the key properties of 1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine?
1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine has a molecular weight of 373.43 g/mol, XLogP of 4.49, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[5-methoxy-2-(methoxymethoxy)phenyl]propylphosphanyl]-5-methylphenyl]-N-methylmethanimine is sourced from PubChem (CID 89214610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).