2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline

C12H15FN2O — CID 66393635

IUPAC2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline
SMILESNc1c(F)cccc1N1CC2CCC(C1)O2
InChIInChI=1S/C12H15FN2O/c13-10-2-1-3-11(12(10)14)15-6-8-4-5-9(7-15)16-8/h1-3,8-9H,4-7,14H2
InChIKeyXHOWYKCJNKJAIP-UHFFFAOYSA-N
MW222.26 g/mol
LogP1.78
Rot. Bonds1

About 2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline

2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline (PubChem CID 66393635) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline.

Molecular Properties

Compound Name2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline
PubChem CID66393635
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline
SMILESNc1c(F)cccc1N1CC2CCC(C1)O2
InChIInChI=1S/C12H15FN2O/c13-10-2-1-3-11(12(10)14)15-6-8-4-5-9(7-15)16-8/h1-3,8-9H,4-7,14H2
InChIKeyXHOWYKCJNKJAIP-UHFFFAOYSA-N
XLogP1.78
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline?
The IUPAC name of 2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline (CID 66393635) is 2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline.
What is the SMILES notation for 2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline?
The canonical SMILES for 2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline is Nc1c(F)cccc1N1CC2CCC(C1)O2.
What is the InChIKey of 2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline?
The InChIKey is XHOWYKCJNKJAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c13-10-2-1-3-11(12(10)14)15-6-8-4-5-9(7-15)16-8/h1-3,8-9H,4-7,14H2.
What are the key properties of 2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline?
2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline has a molecular weight of 222.26 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)aniline is sourced from PubChem (CID 66393635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).