(E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine

C17H22F3NO — CID 88957498

IUPAC(E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\OCC1CCCCC1)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C17H22F3NO/c1-12-8-9-15(16(10-12)17(18,19)20)13(2)21-22-11-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3/b21-13+
InChIKeyGOQNNLWOKKWUHR-FYJGNVAPSA-N
MW313.36 g/mol
LogP5.33
Rot. Bonds4

About (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine

(E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine (PubChem CID 88957498) has the molecular formula C17H22F3NO and a molecular weight of 313.36 g/mol. Its IUPAC name is (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound Name(E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine
PubChem CID88957498
Molecular FormulaC17H22F3NO
Molecular Weight313.36 g/mol
Exact Mass313.17
IUPAC Name(E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine
SMILESC/C(=N\OCC1CCCCC1)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C17H22F3NO/c1-12-8-9-15(16(10-12)17(18,19)20)13(2)21-22-11-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3/b21-13+
InChIKeyGOQNNLWOKKWUHR-FYJGNVAPSA-N
XLogP5.33
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.36
LogP ≤ 55.33
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 (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine (CID 88957498) is (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine is C/C(=N\OCC1CCCCC1)c1ccc(C)cc1C(F)(F)F.
What is the InChIKey of (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is GOQNNLWOKKWUHR-FYJGNVAPSA-N. The full InChI is InChI=1S/C17H22F3NO/c1-12-8-9-15(16(10-12)17(18,19)20)13(2)21-22-11-14-6-4-3-5-7-14/h8-10,14H,3-7,11H2,1-2H3/b21-13+.
What are the key properties of (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine?
(E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 313.36 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 88957498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).