1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine

C18H18F3NO — CID 72599778

IUPAC1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESCC(=NOCc1cccc(C(F)(F)F)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H18F3NO/c1-12-7-8-16(9-13(12)2)14(3)22-23-11-15-5-4-6-17(10-15)18(19,20)21/h4-10H,11H2,1-3H3
InChIKeyMCRKVPLYGVLEOE-UHFFFAOYSA-N
MW321.34 g/mol
LogP5.26
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine

1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine (PubChem CID 72599778) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine
PubChem CID72599778
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESCC(=NOCc1cccc(C(F)(F)F)c1)c1ccc(C)c(C)c1
InChIInChI=1S/C18H18F3NO/c1-12-7-8-16(9-13(12)2)14(3)22-23-11-15-5-4-6-17(10-15)18(19,20)21/h4-10H,11H2,1-3H3
InChIKeyMCRKVPLYGVLEOE-UHFFFAOYSA-N
XLogP5.26
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.34
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine?
The IUPAC name of 1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine (CID 72599778) is 1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine is CC(=NOCc1cccc(C(F)(F)F)c1)c1ccc(C)c(C)c1.
What is the InChIKey of 1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine?
The InChIKey is MCRKVPLYGVLEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-12-7-8-16(9-13(12)2)14(3)22-23-11-15-5-4-6-17(10-15)18(19,20)21/h4-10H,11H2,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine?
1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine has a molecular weight of 321.34 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine is sourced from PubChem (CID 72599778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).