8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine

C22H23F3N2O — CID 46844432

IUPAC8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOC(c1ccccc1)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C22H23F3N2O/c1-27-19-11-12-20(27)14-18(13-19)26-28-21(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(23,24)25/h2-10,19-21H,11-14H2,1H3
InChIKeyXNSCEIAPPDROEG-UHFFFAOYSA-N
MW388.43 g/mol
LogP5.42
Rot. Bonds4

About 8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine

8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine (PubChem CID 46844432) has the molecular formula C22H23F3N2O and a molecular weight of 388.43 g/mol. Its IUPAC name is 8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine.

Molecular Properties

Compound Name8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine
PubChem CID46844432
Molecular FormulaC22H23F3N2O
Molecular Weight388.43 g/mol
Exact Mass388.18
IUPAC Name8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine
SMILESCN1C2CCC1CC(=NOC(c1ccccc1)c1ccc(C(F)(F)F)cc1)C2
InChIInChI=1S/C22H23F3N2O/c1-27-19-11-12-20(27)14-18(13-19)26-28-21(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(23,24)25/h2-10,19-21H,11-14H2,1H3
InChIKeyXNSCEIAPPDROEG-UHFFFAOYSA-N
XLogP5.42
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.43
LogP ≤ 55.42
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'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine?
The IUPAC name of 8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine (CID 46844432) is 8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine.
What is the SMILES notation for 8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine?
The canonical SMILES for 8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine is CN1C2CCC1CC(=NOC(c1ccccc1)c1ccc(C(F)(F)F)cc1)C2.
What is the InChIKey of 8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine?
The InChIKey is XNSCEIAPPDROEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O/c1-27-19-11-12-20(27)14-18(13-19)26-28-21(15-5-3-2-4-6-15)16-7-9-17(10-8-16)22(23,24)25/h2-10,19-21H,11-14H2,1H3.
What are the key properties of 8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine?
8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine has a molecular weight of 388.43 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-N-[phenyl-[4-(trifluoromethyl)phenyl]methoxy]-8-azabicyclo[3.2.1]octan-3-imine is sourced from PubChem (CID 46844432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).