3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane

C17H24FN — CID 18318023

IUPAC3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane
SMILESCCCC1C(c2ccc(F)cc2)CC2CCC1N2C
InChIInChI=1S/C17H24FN/c1-3-4-15-16(12-5-7-13(18)8-6-12)11-14-9-10-17(15)19(14)2/h5-8,14-17H,3-4,9-11H2,1-2H3
InChIKeyRRYKNJJWPDGZLY-UHFFFAOYSA-N
MW261.38 g/mol
LogP4.19
Rot. Bonds3

About 3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane

3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane (PubChem CID 18318023) has the molecular formula C17H24FN and a molecular weight of 261.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane
PubChem CID18318023
Molecular FormulaC17H24FN
Molecular Weight261.38 g/mol
Exact Mass261.19
IUPAC Name3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane
SMILESCCCC1C(c2ccc(F)cc2)CC2CCC1N2C
InChIInChI=1S/C17H24FN/c1-3-4-15-16(12-5-7-13(18)8-6-12)11-14-9-10-17(15)19(14)2/h5-8,14-17H,3-4,9-11H2,1-2H3
InChIKeyRRYKNJJWPDGZLY-UHFFFAOYSA-N
XLogP4.19
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.38
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane (CID 18318023) is 3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane is CCCC1C(c2ccc(F)cc2)CC2CCC1N2C.
What is the InChIKey of 3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane?
The InChIKey is RRYKNJJWPDGZLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN/c1-3-4-15-16(12-5-7-13(18)8-6-12)11-14-9-10-17(15)19(14)2/h5-8,14-17H,3-4,9-11H2,1-2H3.
What are the key properties of 3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane?
3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane has a molecular weight of 261.38 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-8-methyl-2-propyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 18318023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).