[2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium

C20H22F3N2O2+ — CID 123462344

IUPAC[2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium
SMILESCON=C(C)c1ccccc1C=[N+](C)OC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N2O2/c1-14(24-26-4)19-11-6-5-8-17(19)13-25(3)27-15(2)16-9-7-10-18(12-16)20(21,22)23/h5-13,15H,1-4H3/q+1
InChIKeyUMVWIDBLGYTEFK-UHFFFAOYSA-N
MW379.40 g/mol
LogP4.83
Rot. Bonds6

About [2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium

[2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium (PubChem CID 123462344) has the molecular formula C20H22F3N2O2+ and a molecular weight of 379.40 g/mol. Its IUPAC name is [2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium.

Molecular Properties

Compound Name[2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium
PubChem CID123462344
Molecular FormulaC20H22F3N2O2+
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name[2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium
SMILESCON=C(C)c1ccccc1C=[N+](C)OC(C)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H22F3N2O2/c1-14(24-26-4)19-11-6-5-8-17(19)13-25(3)27-15(2)16-9-7-10-18(12-16)20(21,22)23/h5-13,15H,1-4H3/q+1
InChIKeyUMVWIDBLGYTEFK-UHFFFAOYSA-N
XLogP4.83
TPSA33.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 54.83
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': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze [2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium 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 [2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium?
The IUPAC name of [2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium (CID 123462344) is [2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium.
What is the SMILES notation for [2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium?
The canonical SMILES for [2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium is CON=C(C)c1ccccc1C=[N+](C)OC(C)c1cccc(C(F)(F)F)c1.
What is the InChIKey of [2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium?
The InChIKey is UMVWIDBLGYTEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F3N2O2/c1-14(24-26-4)19-11-6-5-8-17(19)13-25(3)27-15(2)16-9-7-10-18(12-16)20(21,22)23/h5-13,15H,1-4H3/q+1.
What are the key properties of [2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium?
[2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium has a molecular weight of 379.40 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methoxy-C-methylcarbonimidoyl)phenyl]methylidene-methyl-[1-[3-(trifluoromethyl)phenyl]ethoxy]azanium is sourced from PubChem (CID 123462344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).