1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine

C16H13F3N2O2 — CID 54219993

IUPAC1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
SMILESCOc1ccc(C=NN=Cc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N2O2/c1-22-14-6-2-12(3-7-14)10-20-21-11-13-4-8-15(9-5-13)23-16(17,18)19/h2-11H,1H3
InChIKeyQBXGFSQTKQIWHY-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.05
Rot. Bonds5

About 1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine

1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine (PubChem CID 54219993) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
PubChem CID54219993
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
SMILESCOc1ccc(C=NN=Cc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C16H13F3N2O2/c1-22-14-6-2-12(3-7-14)10-20-21-11-13-4-8-15(9-5-13)23-16(17,18)19/h2-11H,1H3
InChIKeyQBXGFSQTKQIWHY-UHFFFAOYSA-N
XLogP4.05
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine?
The IUPAC name of 1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine (CID 54219993) is 1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine.
What is the SMILES notation for 1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine?
The canonical SMILES for 1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine is COc1ccc(C=NN=Cc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine?
The InChIKey is QBXGFSQTKQIWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-22-14-6-2-12(3-7-14)10-20-21-11-13-4-8-15(9-5-13)23-16(17,18)19/h2-11H,1H3.
What are the key properties of 1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine?
1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine has a molecular weight of 322.29 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-N-[[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine is sourced from PubChem (CID 54219993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).