(E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine

C18H25FN2O — CID 89161944

IUPAC(E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
SMILESCC/C(=N\OC)C1C(c2ccc(F)cc2)CC2CCC1N2C
InChIInChI=1S/C18H25FN2O/c1-4-16(20-22-3)18-15(12-5-7-13(19)8-6-12)11-14-9-10-17(18)21(14)2/h5-8,14-15,17-18H,4,9-11H2,1-3H3/b20-16+
InChIKeyWNNVSTYKUUERHJ-CAPFRKAQSA-N
MW304.41 g/mol
LogP3.80
Rot. Bonds4

About (E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine

(E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine (PubChem CID 89161944) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is (E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine.

Molecular Properties

Compound Name(E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
PubChem CID89161944
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name(E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine
SMILESCC/C(=N\OC)C1C(c2ccc(F)cc2)CC2CCC1N2C
InChIInChI=1S/C18H25FN2O/c1-4-16(20-22-3)18-15(12-5-7-13(19)8-6-12)11-14-9-10-17(18)21(14)2/h5-8,14-15,17-18H,4,9-11H2,1-3H3/b20-16+
InChIKeyWNNVSTYKUUERHJ-CAPFRKAQSA-N
XLogP3.80
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 53.80
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 (E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine?
The IUPAC name of (E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine (CID 89161944) is (E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine.
What is the SMILES notation for (E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine?
The canonical SMILES for (E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine is CC/C(=N\OC)C1C(c2ccc(F)cc2)CC2CCC1N2C.
What is the InChIKey of (E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine?
The InChIKey is WNNVSTYKUUERHJ-CAPFRKAQSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-4-16(20-22-3)18-15(12-5-7-13(19)8-6-12)11-14-9-10-17(18)21(14)2/h5-8,14-15,17-18H,4,9-11H2,1-3H3/b20-16+.
What are the key properties of (E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine?
(E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine has a molecular weight of 304.41 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]-N-methoxypropan-1-imine is sourced from PubChem (CID 89161944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).