N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine

C20H15F3N2O — CID 118602896

IUPACN-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine
SMILESCc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C20H15F3N2O/c1-14-6-2-4-8-18(14)24-12-15-10-11-16(26-15)13-25-19-9-5-3-7-17(19)20(21,22)23/h2-13H,1H3/b24-12+,25-13+
InChIKeyQWMGEOQJDQZMRH-DWGHPKEWSA-N
MW356.35 g/mol
LogP6.11
Rot. Bonds4

About N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine

N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine (PubChem CID 118602896) has the molecular formula C20H15F3N2O and a molecular weight of 356.35 g/mol. Its IUPAC name is N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine.

Molecular Properties

Compound NameN-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine
PubChem CID118602896
Molecular FormulaC20H15F3N2O
Molecular Weight356.35 g/mol
Exact Mass356.11
IUPAC NameN-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine
SMILESCc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2C(F)(F)F)o1
InChIInChI=1S/C20H15F3N2O/c1-14-6-2-4-8-18(14)24-12-15-10-11-16(26-15)13-25-19-9-5-3-7-17(19)20(21,22)23/h2-13H,1H3/b24-12+,25-13+
InChIKeyQWMGEOQJDQZMRH-DWGHPKEWSA-N
XLogP6.11
TPSA37.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine?
The IUPAC name of N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine (CID 118602896) is N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine.
What is the SMILES notation for N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine?
The canonical SMILES for N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine is Cc1ccccc1/N=C/c1ccc(/C=N/c2ccccc2C(F)(F)F)o1.
What is the InChIKey of N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine?
The InChIKey is QWMGEOQJDQZMRH-DWGHPKEWSA-N. The full InChI is InChI=1S/C20H15F3N2O/c1-14-6-2-4-8-18(14)24-12-15-10-11-16(26-15)13-25-19-9-5-3-7-17(19)20(21,22)23/h2-13H,1H3/b24-12+,25-13+.
What are the key properties of N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine?
N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine has a molecular weight of 356.35 g/mol, XLogP of 6.11, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-1-[5-[[2-(trifluoromethyl)phenyl]iminomethyl]furan-2-yl]methanimine is sourced from PubChem (CID 118602896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).