(E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine

C19H22NO2P — CID 10782437

IUPAC(E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine
SMILESCOC1CCCC/C1=N\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NO2P/c1-22-19-15-9-8-14-18(19)20-23(21,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,19H,8-9,14-15H2,1H3/b20-18+
InChIKeyFZJBLGQWZBUJAR-CZIZESTLSA-N
MW327.36 g/mol
LogP3.95
Rot. Bonds4

About (E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine

(E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine (PubChem CID 10782437) has the molecular formula C19H22NO2P and a molecular weight of 327.36 g/mol. Its IUPAC name is (E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine.

Molecular Properties

Compound Name(E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine
PubChem CID10782437
Molecular FormulaC19H22NO2P
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name(E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine
SMILESCOC1CCCC/C1=N\P(=O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C19H22NO2P/c1-22-19-15-9-8-14-18(19)20-23(21,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,19H,8-9,14-15H2,1H3/b20-18+
InChIKeyFZJBLGQWZBUJAR-CZIZESTLSA-N
XLogP3.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.95
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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Related Compounds

(NE)-N-(2-methoxycycloundecylidene)hydroxylamine
CID 87909315
N-diphenylphosphorylcyclohepta-2,4,6-trien-1-imine
CID 15260741
(E)-N-diphenylphosphoryl-6-methoxy-2-phenyl-3,4-dihydro-2H-naphthalen-1-imine
CID 10647239
(E)-N-diphenylphosphoryl-3,4-dihydro-2H-naphthalen-1-imine
CID 11057088
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
[[(1S,2S)-2-methylcyclohexyl]oxy-phenylphosphoryl]benzene
CID 98130022
[1-cyclopentylethenyl(methyl)phosphoryl]benzene
CID 59707589
[1-cyclohexylethyl(phenyl)phosphoryl]benzene
CID 12705904
[cyclopropyl(methyl)phosphoryl]benzene
CID 601643
1-cyclohexyl-2-diphenylphosphorylpropan-1-one
CID 10893177
[cyclohexyl(phenyl)phosphoryl]oxybenzene
CID 174639588
[[(E)-2-cyclopentylethenyl]-methylphosphoryl]benzene
CID 59707595

Frequently Asked Questions

What is the IUPAC name of (E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine?
The IUPAC name of (E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine (CID 10782437) is (E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine.
What is the SMILES notation for (E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine?
The canonical SMILES for (E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine is COC1CCCC/C1=N\P(=O)(c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine?
The InChIKey is FZJBLGQWZBUJAR-CZIZESTLSA-N. The full InChI is InChI=1S/C19H22NO2P/c1-22-19-15-9-8-14-18(19)20-23(21,16-10-4-2-5-11-16)17-12-6-3-7-13-17/h2-7,10-13,19H,8-9,14-15H2,1H3/b20-18+.
What are the key properties of (E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine?
(E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine has a molecular weight of 327.36 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-diphenylphosphoryl-2-methoxycyclohexan-1-imine is sourced from PubChem (CID 10782437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).