(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde

C20H18F6N2O2 — CID 143726727

IUPAC(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde
SMILESC=N/C(=C(/NC)OCc1ccccc1C(F)(F)F)c1ccccc1.O=CC(F)(F)F
InChIInChI=1S/C18H17F3N2O.C2HF3O/c1-22-16(13-8-4-3-5-9-13)17(23-2)24-12-14-10-6-7-11-15(14)18(19,20)21;3-2(4,5)1-6/h3-11,23H,1,12H2,2H3;1H/b17-16-;
InChIKeyHYULBLVDVUTJMV-XYJRJTJESA-N
MW432.36 g/mol
LogP5.22
Rot. Bonds6

About (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde

(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde (PubChem CID 143726727) has the molecular formula C20H18F6N2O2 and a molecular weight of 432.36 g/mol. Its IUPAC name is (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde.

Molecular Properties

Compound Name(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde
PubChem CID143726727
Molecular FormulaC20H18F6N2O2
Molecular Weight432.36 g/mol
Exact Mass432.13
IUPAC Name(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde
SMILESC=N/C(=C(/NC)OCc1ccccc1C(F)(F)F)c1ccccc1.O=CC(F)(F)F
InChIInChI=1S/C18H17F3N2O.C2HF3O/c1-22-16(13-8-4-3-5-9-13)17(23-2)24-12-14-10-6-7-11-15(14)18(19,20)21;3-2(4,5)1-6/h3-11,23H,1,12H2,2H3;1H/b17-16-;
InChIKeyHYULBLVDVUTJMV-XYJRJTJESA-N
XLogP5.22
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.36
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde?
The IUPAC name of (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde (CID 143726727) is (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde.
What is the SMILES notation for (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde?
The canonical SMILES for (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde is C=N/C(=C(/NC)OCc1ccccc1C(F)(F)F)c1ccccc1.O=CC(F)(F)F.
What is the InChIKey of (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde?
The InChIKey is HYULBLVDVUTJMV-XYJRJTJESA-N. The full InChI is InChI=1S/C18H17F3N2O.C2HF3O/c1-22-16(13-8-4-3-5-9-13)17(23-2)24-12-14-10-6-7-11-15(14)18(19,20)21;3-2(4,5)1-6/h3-11,23H,1,12H2,2H3;1H/b17-16-;.
What are the key properties of (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde?
(Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde has a molecular weight of 432.36 g/mol, XLogP of 5.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methyl-2-(methylideneamino)-2-phenyl-1-[[2-(trifluoromethyl)phenyl]methoxy]ethenamine;2,2,2-trifluoroacetaldehyde is sourced from PubChem (CID 143726727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).