1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine

C16H14F3NO — CID 11781336

IUPAC1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESCOc1ccc(/C(C)=N/c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO/c1-11(12-7-9-13(21-2)10-8-12)20-15-6-4-3-5-14(15)16(17,18)19/h3-10H,1-2H3/b20-11+
InChIKeySELLEVWVNJOCAM-RGVLZGJSSA-N
MW293.29 g/mol
LogP4.85
Rot. Bonds3

About 1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine

1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 11781336) has the molecular formula C16H14F3NO and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
PubChem CID11781336
Molecular FormulaC16H14F3NO
Molecular Weight293.29 g/mol
Exact Mass293.10
IUPAC Name1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine
SMILESCOc1ccc(/C(C)=N/c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C16H14F3NO/c1-11(12-7-9-13(21-2)10-8-12)20-15-6-4-3-5-14(15)16(17,18)19/h3-10H,1-2H3/b20-11+
InChIKeySELLEVWVNJOCAM-RGVLZGJSSA-N
XLogP4.85
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine 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 1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine (CID 11781336) is 1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine is COc1ccc(/C(C)=N/c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is SELLEVWVNJOCAM-RGVLZGJSSA-N. The full InChI is InChI=1S/C16H14F3NO/c1-11(12-7-9-13(21-2)10-8-12)20-15-6-4-3-5-14(15)16(17,18)19/h3-10H,1-2H3/b20-11+.
What are the key properties of 1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine?
1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 293.29 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 11781336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).