(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine

C29H37F3N2O — CID 126686462

IUPAC(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine
SMILESCCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C)C1
InChIInChI=1S/C29H37F3N2O/c1-4-23-15-25(11-12-26(23)18-34-16-20(2)17-34)21(3)33-35-19-22-10-13-27(24-8-6-5-7-9-24)28(14-22)29(30,31)32/h10-15,20,24H,4-9,16-19H2,1-3H3/b33-21+
InChIKeyGMCBDIZDYVRMBJ-QNKGDIEWSA-N
MW486.62 g/mol
LogP7.71
Rot. Bonds8

About (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine

(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine (PubChem CID 126686462) has the molecular formula C29H37F3N2O and a molecular weight of 486.62 g/mol. Its IUPAC name is (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine
PubChem CID126686462
Molecular FormulaC29H37F3N2O
Molecular Weight486.62 g/mol
Exact Mass486.29
IUPAC Name(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine
SMILESCCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C)C1
InChIInChI=1S/C29H37F3N2O/c1-4-23-15-25(11-12-26(23)18-34-16-20(2)17-34)21(3)33-35-19-22-10-13-27(24-8-6-5-7-9-24)28(14-22)29(30,31)32/h10-15,20,24H,4-9,16-19H2,1-3H3/b33-21+
InChIKeyGMCBDIZDYVRMBJ-QNKGDIEWSA-N
XLogP7.71
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.62
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine?
The IUPAC name of (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine (CID 126686462) is (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine.
What is the SMILES notation for (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine?
The canonical SMILES for (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine is CCc1cc(/C(C)=N/OCc2ccc(C3CCCCC3)c(C(F)(F)F)c2)ccc1CN1CC(C)C1.
What is the InChIKey of (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine?
The InChIKey is GMCBDIZDYVRMBJ-QNKGDIEWSA-N. The full InChI is InChI=1S/C29H37F3N2O/c1-4-23-15-25(11-12-26(23)18-34-16-20(2)17-34)21(3)33-35-19-22-10-13-27(24-8-6-5-7-9-24)28(14-22)29(30,31)32/h10-15,20,24H,4-9,16-19H2,1-3H3/b33-21+.
What are the key properties of (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine?
(E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine has a molecular weight of 486.62 g/mol, XLogP of 7.71, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-[3-ethyl-4-[(3-methylazetidin-1-yl)methyl]phenyl]ethanimine is sourced from PubChem (CID 126686462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).