2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane

C18H26FN — CID 18318026

IUPAC2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane
SMILESCCCCC1C(c2ccccc2)CC2CC(F)C1N2C
InChIInChI=1S/C18H26FN/c1-3-4-10-15-16(13-8-6-5-7-9-13)11-14-12-17(19)18(15)20(14)2/h5-9,14-18H,3-4,10-12H2,1-2H3
InChIKeyJSDRYBZQSFSSDP-UHFFFAOYSA-N
MW275.41 g/mol
LogP4.39
Rot. Bonds4

About 2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane

2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane (PubChem CID 18318026) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is 2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane
PubChem CID18318026
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane
SMILESCCCCC1C(c2ccccc2)CC2CC(F)C1N2C
InChIInChI=1S/C18H26FN/c1-3-4-10-15-16(13-8-6-5-7-9-13)11-14-12-17(19)18(15)20(14)2/h5-9,14-18H,3-4,10-12H2,1-2H3
InChIKeyJSDRYBZQSFSSDP-UHFFFAOYSA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane (CID 18318026) is 2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane is CCCCC1C(c2ccccc2)CC2CC(F)C1N2C.
What is the InChIKey of 2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane?
The InChIKey is JSDRYBZQSFSSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26FN/c1-3-4-10-15-16(13-8-6-5-7-9-13)11-14-12-17(19)18(15)20(14)2/h5-9,14-18H,3-4,10-12H2,1-2H3.
What are the key properties of 2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane?
2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane has a molecular weight of 275.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-7-fluoro-8-methyl-3-phenyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 18318026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).