(E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine

C21H20NOP — CID 11221276

IUPAC(E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine
SMILESC/C(=N\P(=O)(c1ccccc1)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C21H20NOP/c1-17-13-15-19(16-14-17)18(2)22-24(23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,1-2H3/b22-18+
InChIKeyMQYLUUZXFZJPRM-RELWKKBWSA-N
MW333.37 g/mol
LogP4.73
Rot. Bonds4

About (E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine

(E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine (PubChem CID 11221276) has the molecular formula C21H20NOP and a molecular weight of 333.37 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine
PubChem CID11221276
Molecular FormulaC21H20NOP
Molecular Weight333.37 g/mol
Exact Mass333.13
IUPAC Name(E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine
SMILESC/C(=N\P(=O)(c1ccccc1)c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C21H20NOP/c1-17-13-15-19(16-14-17)18(2)22-24(23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,1-2H3/b22-18+
InChIKeyMQYLUUZXFZJPRM-RELWKKBWSA-N
XLogP4.73
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

P,P-Diphenyl-N-(phenylmethylene)phosphinic amide
CID 608413
4-Methylacetophenone azine
CID 9575479
(E)-N-diphenylphosphoryloxy-1-(2-fluorophenyl)ethanimine
CID 153522001
N-(diphenylphosphinyl)acetophenoneimine
CID 85073507
(E)-N-Benzylidene-P,P-diphenylphosphinic amide
CID 9603698
(E)-N-diphenylphosphoryl-1-phenylethanimine
CID 9944887
(E)-N-diphenylphosphoryl-1-phenylpropan-1-imine
CID 13736338
(E)-N-bis(3,5-dimethylphenyl)phosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 11487569
(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

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine?
The IUPAC name of (E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine (CID 11221276) is (E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine?
The canonical SMILES for (E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine is C/C(=N\P(=O)(c1ccccc1)c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine?
The InChIKey is MQYLUUZXFZJPRM-RELWKKBWSA-N. The full InChI is InChI=1S/C21H20NOP/c1-17-13-15-19(16-14-17)18(2)22-24(23,20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16H,1-2H3/b22-18+.
What are the key properties of (E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine?
(E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine has a molecular weight of 333.37 g/mol, XLogP of 4.73, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine is sourced from PubChem (CID 11221276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).