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

C18H18F3NO — CID 59934418

IUPAC(Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESC/C(=N/OCc1cccc(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/b22-14-
InChIKeyMCRKVPLYGVLEOE-HMAPJEAMSA-N
MW321.34 g/mol
LogP5.26
Rot. Bonds4

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

(Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine (PubChem CID 59934418) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is (Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine.

Molecular Properties

Compound Name(Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine
PubChem CID59934418
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name(Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine
SMILESC/C(=N/OCc1cccc(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/b22-14-
InChIKeyMCRKVPLYGVLEOE-HMAPJEAMSA-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'}

Analyze (Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[(Z)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]benzonitrile
CID 155884396
4-Phenyl-1h-2,3-benzoxazine
CID 269835
Ethanone, 1-[3-ethyl-4-(hydroxymethyl)phenyl]-,O-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methyl]oxime, (1E)-
CID 123382840
3,5-Bis(4-fluorophenyl)-4,5-dihydroisoxazole
CID 11357385
4,4-dimethyl-2-[2-phenyl-5-(trifluoromethyl)phenyl]-5H-1,3-oxazole
CID 70232877
3-Phenyl-5-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,2-oxazole
CID 71680803
(Z)-(ethyl N-{[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy}ethanecarboximidate)
CID 126723001
Siponimod Impurity 27
CID 126723004
3,5-diphenyl-5-(2,2,2-trifluoroethyl)-4H-1,2-oxazole
CID 164685193
Acetophenone benzyloxime
CID 9602263
4-(3,4-difluorophenyl)-1H-2,3-benzoxazine
CID 76316090
4-[3-(trifluoromethyl)phenyl]-1H-2,3-benzoxazine
CID 76319807

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine?
The IUPAC name of (Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine (CID 59934418) is (Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine.
What is the SMILES notation for (Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine?
The canonical SMILES for (Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine is C/C(=N/OCc1cccc(C(F)(F)F)c1)c1ccc(C)c(C)c1.
What is the InChIKey of (Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine?
The InChIKey is MCRKVPLYGVLEOE-HMAPJEAMSA-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/b22-14-.
What are the key properties of (Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine?
(Z)-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 (Z)-1-(3,4-dimethylphenyl)-N-[[3-(trifluoromethyl)phenyl]methoxy]ethanimine is sourced from PubChem (CID 59934418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).