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

C18H24F3NO — CID 88957503

IUPAC(E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]propan-1-imine
SMILESCC/C(=N\OCC1CCCCC1)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C18H24F3NO/c1-3-17(22-23-12-14-7-5-4-6-8-14)15-10-9-13(2)11-16(15)18(19,20)21/h9-11,14H,3-8,12H2,1-2H3/b22-17+
InChIKeyUCIOXTJBGHPLPE-OQKWZONESA-N
MW327.39 g/mol
LogP5.72
Rot. Bonds5

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

(E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]propan-1-imine (PubChem CID 88957503) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]propan-1-imine.

Molecular Properties

Compound Name(E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]propan-1-imine
PubChem CID88957503
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name(E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]propan-1-imine
SMILESCC/C(=N\OCC1CCCCC1)c1ccc(C)cc1C(F)(F)F
InChIInChI=1S/C18H24F3NO/c1-3-17(22-23-12-14-7-5-4-6-8-14)15-10-9-13(2)11-16(15)18(19,20)21/h9-11,14H,3-8,12H2,1-2H3/b22-17+
InChIKeyUCIOXTJBGHPLPE-OQKWZONESA-N
XLogP5.72
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.72
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]propan-1-imine?
The IUPAC name of (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]propan-1-imine (CID 88957503) is (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]propan-1-imine.
What is the SMILES notation for (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]propan-1-imine?
The canonical SMILES for (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]propan-1-imine is CC/C(=N\OCC1CCCCC1)c1ccc(C)cc1C(F)(F)F.
What is the InChIKey of (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]propan-1-imine?
The InChIKey is UCIOXTJBGHPLPE-OQKWZONESA-N. The full InChI is InChI=1S/C18H24F3NO/c1-3-17(22-23-12-14-7-5-4-6-8-14)15-10-9-13(2)11-16(15)18(19,20)21/h9-11,14H,3-8,12H2,1-2H3/b22-17+.
What are the key properties of (E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]propan-1-imine?
(E)-N-(cyclohexylmethoxy)-1-[4-methyl-2-(trifluoromethyl)phenyl]propan-1-imine has a molecular weight of 327.39 g/mol, XLogP of 5.72, 5 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]propan-1-imine is sourced from PubChem (CID 88957503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).