(E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine

C21H20NO2P — CID 162411970

IUPAC(E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine
SMILESC/C(=N\OP(=O)(c1ccccc1)c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C21H20NO2P/c1-17-10-9-11-19(16-17)18(2)22-24-25(23,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16H,1-2H3/b22-18+
InChIKeyUTLLSUKYFMTYBW-RELWKKBWSA-N
MW349.37 g/mol
LogP4.66
Rot. Bonds5

About (E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine

(E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine (PubChem CID 162411970) has the molecular formula C21H20NO2P and a molecular weight of 349.37 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine
PubChem CID162411970
Molecular FormulaC21H20NO2P
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name(E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine
SMILESC/C(=N\OP(=O)(c1ccccc1)c1ccccc1)c1cccc(C)c1
InChIInChI=1S/C21H20NO2P/c1-17-10-9-11-19(16-17)18(2)22-24-25(23,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16H,1-2H3/b22-18+
InChIKeyUTLLSUKYFMTYBW-RELWKKBWSA-N
XLogP4.66
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.66
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-diphenylphosphoryloxy-1-(2-fluorophenyl)ethanimine
CID 153522001
N-(diphenylphosphinyl)acetophenoneimine
CID 85073507
(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-diphenylphosphoryl-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 135079886
(E)-N-diphenylphosphoryloxy-1-(4-fluorophenyl)ethanimine
CID 162411972
(E)-N-diphenylphosphoryloxy-1-[4-(trifluoromethyl)phenyl]ethanimine
CID 162411973
(E)-N-diphenylphosphoryl-1-(4-methylphenyl)ethanimine
CID 11221276
(E,E)-N-diphenylphosphoryl-4-phenylbut-3-en-2-imine
CID 11290909
(E)-N-diphenylphosphoryl-4-phenylbutan-2-imine
CID 135071765

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine?
The IUPAC name of (E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine (CID 162411970) is (E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine.
What is the SMILES notation for (E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine?
The canonical SMILES for (E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine is C/C(=N\OP(=O)(c1ccccc1)c1ccccc1)c1cccc(C)c1.
What is the InChIKey of (E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine?
The InChIKey is UTLLSUKYFMTYBW-RELWKKBWSA-N. The full InChI is InChI=1S/C21H20NO2P/c1-17-10-9-11-19(16-17)18(2)22-24-25(23,20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-16H,1-2H3/b22-18+.
What are the key properties of (E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine?
(E)-N-diphenylphosphoryloxy-1-(3-methylphenyl)ethanimine has a molecular weight of 349.37 g/mol, XLogP of 4.66, 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-(3-methylphenyl)ethanimine is sourced from PubChem (CID 162411970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).