1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine

C21H16F3NO — CID 4638790

IUPAC1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1/N=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H16F3NO/c22-21(23,24)19-8-4-5-9-20(19)25-14-16-10-12-18(13-11-16)26-15-17-6-2-1-3-7-17/h1-14H,15H2/b25-14+
InChIKeySVKKDJPGYCKAJV-AFUMVMLFSA-N
MW355.36 g/mol
LogP6.03
Rot. Bonds5

About 1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine

1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine (PubChem CID 4638790) has the molecular formula C21H16F3NO and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine.

Molecular Properties

Compound Name1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
PubChem CID4638790
Molecular FormulaC21H16F3NO
Molecular Weight355.36 g/mol
Exact Mass355.12
IUPAC Name1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine
SMILESFC(F)(F)c1ccccc1/N=C/c1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C21H16F3NO/c22-21(23,24)19-8-4-5-9-20(19)25-14-16-10-12-18(13-11-16)26-15-17-6-2-1-3-7-17/h1-14H,15H2/b25-14+
InChIKeySVKKDJPGYCKAJV-AFUMVMLFSA-N
XLogP6.03
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.36
LogP ≤ 56.03
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-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The IUPAC name of 1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine (CID 4638790) is 1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine.
What is the SMILES notation for 1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The canonical SMILES for 1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine is FC(F)(F)c1ccccc1/N=C/c1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
The InChIKey is SVKKDJPGYCKAJV-AFUMVMLFSA-N. The full InChI is InChI=1S/C21H16F3NO/c22-21(23,24)19-8-4-5-9-20(19)25-14-16-10-12-18(13-11-16)26-15-17-6-2-1-3-7-17/h1-14H,15H2/b25-14+.
What are the key properties of 1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine?
1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine has a molecular weight of 355.36 g/mol, XLogP of 6.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylmethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]methanimine is sourced from PubChem (CID 4638790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).