1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine

C15H12F3NO — CID 4250953

IUPAC1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
SMILESCOc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F3NO/c1-20-14-7-5-11(6-8-14)10-19-13-4-2-3-12(9-13)15(16,17)18/h2-10H,1H3/b19-10+
InChIKeyUSRCFJUXDYYDDD-VXLYETTFSA-N
MW279.26 g/mol
LogP4.46
Rot. Bonds3

About 1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine

1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine (PubChem CID 4250953) has the molecular formula C15H12F3NO and a molecular weight of 279.26 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
PubChem CID4250953
Molecular FormulaC15H12F3NO
Molecular Weight279.26 g/mol
Exact Mass279.09
IUPAC Name1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine
SMILESCOc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C15H12F3NO/c1-20-14-7-5-11(6-8-14)10-19-13-4-2-3-12(9-13)15(16,17)18/h2-10H,1H3/b19-10+
InChIKeyUSRCFJUXDYYDDD-VXLYETTFSA-N
XLogP4.46
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine (CID 4250953) is 1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine is COc1ccc(/C=N/c2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine?
The InChIKey is USRCFJUXDYYDDD-VXLYETTFSA-N. The full InChI is InChI=1S/C15H12F3NO/c1-20-14-7-5-11(6-8-14)10-19-13-4-2-3-12(9-13)15(16,17)18/h2-10H,1H3/b19-10+.
What are the key properties of 1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine?
1-(4-methoxyphenyl)-N-[3-(trifluoromethyl)phenyl]methanimine has a molecular weight of 279.26 g/mol, XLogP of 4.46, 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-[3-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 4250953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).