N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine

C20H23F3NO3P — CID 76701477

IUPACN-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCCOP(=O)(CN=C(c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1)OCC
InChIInChI=1S/C20H23F3NO3P/c1-4-26-28(25,27-5-2)14-24-19(16-8-6-15(3)7-9-16)17-10-12-18(13-11-17)20(21,22)23/h6-13H,4-5,14H2,1-3H3
InChIKeyLYSFJFPABVTRLB-UHFFFAOYSA-N
MW413.38 g/mol
LogP6.07
Rot. Bonds8

About N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine

N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine (PubChem CID 76701477) has the molecular formula C20H23F3NO3P and a molecular weight of 413.38 g/mol. Its IUPAC name is N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound NameN-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine
PubChem CID76701477
Molecular FormulaC20H23F3NO3P
Molecular Weight413.38 g/mol
Exact Mass413.14
IUPAC NameN-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine
SMILESCCOP(=O)(CN=C(c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1)OCC
InChIInChI=1S/C20H23F3NO3P/c1-4-26-28(25,27-5-2)14-24-19(16-8-6-15(3)7-9-16)17-10-12-18(13-11-17)20(21,22)23/h6-13H,4-5,14H2,1-3H3
InChIKeyLYSFJFPABVTRLB-UHFFFAOYSA-N
XLogP6.07
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.38
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(1-diethoxyphosphoryl-2-methylpropan-2-yl)-4-(trifluoromethyl)benzene
CID 171093081
[(4-methylphenyl)-[4-(trifluoromethyl)phenyl]phosphoryl]-[4-(trifluoromethyl)phenyl]methanone
CID 164997994
1-[chloro(ethoxy)phosphoryl]-4-(trifluoromethyl)benzene
CID 21054122
(E)-3-(4-methylphenyl)-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
CID 19261685
N-(4-methylphenyl)-4-(trifluoromethyl)benzamide
CID 599447
ethyl N-[4-(trifluoromethyl)benzoyl]ethanehydrazonate
CID 3787588
1-methyl-4-(trifluoromethyl)benzene bromide
CID 158317252
1-methyl-4-[1-[4-(trifluoromethyl)phenyl]ethenyl]benzene
CID 101368482
N-[2-(4-methylphenoxy)ethyl]-4-(trifluoromethyl)benzamide
CID 8960957
(NE)-4-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methylidene]benzenesulfonamide
CID 134997728
N-(2,2-diethoxyethyl)-4-(trifluoromethyl)benzamide
CID 78909661
1-methyl-4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]benzene
CID 59630308

Frequently Asked Questions

What is the IUPAC name of N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine (CID 76701477) is N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine is CCOP(=O)(CN=C(c1ccc(C)cc1)c1ccc(C(F)(F)F)cc1)OCC.
What is the InChIKey of N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine?
The InChIKey is LYSFJFPABVTRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23F3NO3P/c1-4-26-28(25,27-5-2)14-24-19(16-8-6-15(3)7-9-16)17-10-12-18(13-11-17)20(21,22)23/h6-13H,4-5,14H2,1-3H3.
What are the key properties of N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine?
N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine has a molecular weight of 413.38 g/mol, XLogP of 6.07, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diethoxyphosphorylmethyl)-1-(4-methylphenyl)-1-[4-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 76701477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).