3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane

C14H18FN — CID 24904373

IUPAC3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCc1cccc(C2CC3CCC(C2)N3)c1F
InChIInChI=1S/C14H18FN/c1-9-3-2-4-13(14(9)15)10-7-11-5-6-12(8-10)16-11/h2-4,10-12,16H,5-8H2,1H3
InChIKeyJNCZSVYELZLNRC-UHFFFAOYSA-N
MW219.30 g/mol
LogP3.13
Rot. Bonds1

About 3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane

3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane (PubChem CID 24904373) has the molecular formula C14H18FN and a molecular weight of 219.30 g/mol. Its IUPAC name is 3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane
PubChem CID24904373
Molecular FormulaC14H18FN
Molecular Weight219.30 g/mol
Exact Mass219.14
IUPAC Name3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane
SMILESCc1cccc(C2CC3CCC(C2)N3)c1F
InChIInChI=1S/C14H18FN/c1-9-3-2-4-13(14(9)15)10-7-11-5-6-12(8-10)16-11/h2-4,10-12,16H,5-8H2,1H3
InChIKeyJNCZSVYELZLNRC-UHFFFAOYSA-N
XLogP3.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.30
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane (CID 24904373) is 3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane is Cc1cccc(C2CC3CCC(C2)N3)c1F.
What is the InChIKey of 3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is JNCZSVYELZLNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN/c1-9-3-2-4-13(14(9)15)10-7-11-5-6-12(8-10)16-11/h2-4,10-12,16H,5-8H2,1H3.
What are the key properties of 3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane?
3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 219.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methylphenyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 24904373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).