N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine

C23H26F3NO — CID 174735491

IUPACN-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine
SMILESCC(=NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(C)cc1
InChIInChI=1S/C23H26F3NO/c1-16-8-11-19(12-9-16)17(2)27-28-15-18-10-13-21(20-6-4-3-5-7-20)22(14-18)23(24,25)26/h8-14,20H,3-7,15H2,1-2H3
InChIKeyPJPLFBIMFVZIDZ-UHFFFAOYSA-N
MW389.46 g/mol
LogP7.00
Rot. Bonds5

About N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine

N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine (PubChem CID 174735491) has the molecular formula C23H26F3NO and a molecular weight of 389.46 g/mol. Its IUPAC name is N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine.

Molecular Properties

Compound NameN-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine
PubChem CID174735491
Molecular FormulaC23H26F3NO
Molecular Weight389.46 g/mol
Exact Mass389.20
IUPAC NameN-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine
SMILESCC(=NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(C)cc1
InChIInChI=1S/C23H26F3NO/c1-16-8-11-19(12-9-16)17(2)27-28-15-18-10-13-21(20-6-4-3-5-7-20)22(14-18)23(24,25)26/h8-14,20H,3-7,15H2,1-2H3
InChIKeyPJPLFBIMFVZIDZ-UHFFFAOYSA-N
XLogP7.00
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.46
LogP ≤ 57.00
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 N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine?
The IUPAC name of N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine (CID 174735491) is N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine.
What is the SMILES notation for N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine?
The canonical SMILES for N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine is CC(=NOCc1ccc(C2CCCCC2)c(C(F)(F)F)c1)c1ccc(C)cc1.
What is the InChIKey of N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine?
The InChIKey is PJPLFBIMFVZIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3NO/c1-16-8-11-19(12-9-16)17(2)27-28-15-18-10-13-21(20-6-4-3-5-7-20)22(14-18)23(24,25)26/h8-14,20H,3-7,15H2,1-2H3.
What are the key properties of N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine?
N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine has a molecular weight of 389.46 g/mol, XLogP of 7.00, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclohexyl-3-(trifluoromethyl)phenyl]methoxy]-1-(4-methylphenyl)ethanimine is sourced from PubChem (CID 174735491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).