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

Name: (4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₁H₁₆F₃N — CID 135053562

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 CID	135053562
Molecular Formula	C₂₁H₁₆F₃N
Molecular Weight	339.36 g/mol
Exact Mass	339.12
IUPAC Name	(4-methylphenyl)-[2-[4-(trifluoromethyl)phenyl]phenyl]methanimine
SMILES	[H]/N=C(\c1ccc(C)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1
InChI	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+
InChIKey	HDASRUNVBJVBHD-LKUDQCMESA-N
XLogP	6.10
TPSA	23.85 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	3
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	339.36
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

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).

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Sources

PubChem CID 135053562 — identifiers, structure, computed properties (public domain)

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