N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine

C11H12F3NO2 — CID 123600535

IUPACN-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine
SMILESCON=C(C)c1cccc(OC)c1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7(15-17-3)8-5-4-6-9(16-2)10(8)11(12,13)14/h4-6H,1-3H3
InChIKeyDFAGDIOVOHGWIW-UHFFFAOYSA-N
MW247.22 g/mol
LogP3.08
Rot. Bonds3

About N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine

N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 123600535) has the molecular formula C11H12F3NO2 and a molecular weight of 247.22 g/mol. Its IUPAC name is N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine
PubChem CID123600535
Molecular FormulaC11H12F3NO2
Molecular Weight247.22 g/mol
Exact Mass247.08
IUPAC NameN-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine
SMILESCON=C(C)c1cccc(OC)c1C(F)(F)F
InChIInChI=1S/C11H12F3NO2/c1-7(15-17-3)8-5-4-6-9(16-2)10(8)11(12,13)14/h4-6H,1-3H3
InChIKeyDFAGDIOVOHGWIW-UHFFFAOYSA-N
XLogP3.08
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 53.08
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'}

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Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine (CID 123600535) is N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine is CON=C(C)c1cccc(OC)c1C(F)(F)F.
What is the InChIKey of N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is DFAGDIOVOHGWIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2/c1-7(15-17-3)8-5-4-6-9(16-2)10(8)11(12,13)14/h4-6H,1-3H3.
What are the key properties of N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine?
N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 247.22 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-[3-methoxy-2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 123600535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).