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

C16H13F3N2O2 — CID 19368627

IUPAC(E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
SMILESCOc1ccc(/C=N/N=C/c2ccc(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/b20-10+,21-11+
InChIKeyQBXGFSQTKQIWHY-CLVAPQHMSA-N
MW322.29 g/mol
LogP4.05
Rot. Bonds5

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

(E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine (PubChem CID 19368627) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is (E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine.

Molecular Properties

Compound Name(E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
PubChem CID19368627
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name(E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine
SMILESCOc1ccc(/C=N/N=C/c2ccc(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/b20-10+,21-11+
InChIKeyQBXGFSQTKQIWHY-CLVAPQHMSA-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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Related Compounds

Benzaldehyde, 4-methoxy-, 2-((4-methoxyphenyl)methylene)hydrazone
CID 6861420
4-Methoxybenzaldehyde Oxime
CID 5371961
Veratraldehyde azine
CID 9566466
4-Ethoxybenzaldehyde oxime
CID 6904186
p-Anisaldehyde, oxime, (Z)-
CID 5371924
2-Methoxybenzaldehyde azine
CID 9575478
4-(Benzyloxy)benzaldehyde oxime
CID 5331442
4-(Trifluoromethoxy)benzaldoxime
CID 9582153
4-Methoxybenzaldoxime
CID 94712
[Bis(4-methoxyphenyl)methylidene]hydrazine
CID 259399
3-Methoxybenzaldehyde 2-((3-methoxyphenyl)methylene)hydrazone
CID 6891506
Hydrazinecarboximidamide, 2-((4-methoxyphenyl)methylene)-
CID 5343661

Frequently Asked Questions

What is the IUPAC name of (E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine?
The IUPAC name of (E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine (CID 19368627) is (E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine.
What is the SMILES notation for (E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine?
The canonical SMILES for (E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine is COc1ccc(/C=N/N=C/c2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of (E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine?
The InChIKey is QBXGFSQTKQIWHY-CLVAPQHMSA-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/b20-10+,21-11+.
What are the key properties of (E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine?
(E)-1-(4-methoxyphenyl)-N-[(E)-[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 (E)-1-(4-methoxyphenyl)-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]methanimine is sourced from PubChem (CID 19368627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).