(4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine

C21H16F3N — CID 135053562

IUPAC(4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F3N/c1-14-6-8-16(9-7-14)20(25)19-5-3-2-4-18(19)15-10-12-17(13-11-15)21(22,23)24/h2-13,25H,1H3/b25-20+
InChIKeyHDASRUNVBJVBHD-LKUDQCMESA-N
MW339.36 g/mol
LogP6.10
Rot. Bonds3

About (4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine

(4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine (PubChem CID 135053562) has the molecular formula C21H16F3N and a molecular weight of 339.36 g/mol. Its IUPAC name is (4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine.

Molecular Properties

Compound Name(4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine
PubChem CID135053562
Molecular FormulaC21H16F3N
Molecular Weight339.36 g/mol
Exact Mass339.12
IUPAC Name(4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine
SMILES[H]/N=C(\c1ccc(C)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C21H16F3N/c1-14-6-8-16(9-7-14)20(25)19-5-3-2-4-18(19)15-10-12-17(13-11-15)21(22,23)24/h2-13,25H,1H3/b25-20+
InChIKeyHDASRUNVBJVBHD-LKUDQCMESA-N
XLogP6.10
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.36
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4-Methyl-1-naphthyl)(2-(1-naphthylmethyl)phenyl)methanimine
CID 418281
2-[(Z)-[(E)-1-phenyl-3-(4-phenylphenyl)prop-2-enylidene]amino]guanidine
CID 52941533
Phenanthrene-9,10-diimine
CID 2981
(2-Benzylphenyl)-(2,5-dimethylphenyl)methanimine;hydrochloride
CID 5351937
(E)-2,2,2-trifluoro-1-(2-phenylphenyl)-N-trimethylsilylethanimine
CID 58611159
(2-Benzylphenyl)(2,5-dimethylphenyl)methanimine
CID 418268
(2-Benzylphenyl)(2-naphthyl)methanimine
CID 418273
Bis[4-(trifluoromethyl)phenyl]methanimine
CID 15857568
O-Methylbenzophenoneimine
CID 3104923
Benzene, 1-iminobenzyl-2,4-dimethyl-
CID 20151942
(E)-2,2,2-trifluoro-1-phenanthren-9-yl-N-trimethylsilylethanimine
CID 58611146
4-(1-Diazo-2,2,2-trifluoroethyl)-1,1'-biphenyl
CID 101882218

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine?
The IUPAC name of (4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine (CID 135053562) is (4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine.
What is the SMILES notation for (4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine?
The canonical SMILES for (4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine is [H]/N=C(\c1ccc(C)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of (4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine?
The InChIKey is HDASRUNVBJVBHD-LKUDQCMESA-N. The full InChI is InChI=1S/C21H16F3N/c1-14-6-8-16(9-7-14)20(25)19-5-3-2-4-18(19)15-10-12-17(13-11-15)21(22,23)24/h2-13,25H,1H3/b25-20+.
What are the key properties of (4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine?
(4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine has a molecular weight of 339.36 g/mol, XLogP of 6.10, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine is sourced from PubChem (CID 135053562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).