3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol

C11H15FN2O — CID 83119906

IUPAC3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol
SMILESCC(NC1CC(O)C1)c1ccc(F)cn1
InChIInChI=1S/C11H15FN2O/c1-7(14-9-4-10(15)5-9)11-3-2-8(12)6-13-11/h2-3,6-7,9-10,14-15H,4-5H2,1H3
InChIKeyCHBGYRWIPCYXOI-UHFFFAOYSA-N
MW210.25 g/mol
LogP1.39
Rot. Bonds3

About 3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol

3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol (PubChem CID 83119906) has the molecular formula C11H15FN2O and a molecular weight of 210.25 g/mol. Its IUPAC name is 3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol
PubChem CID83119906
Molecular FormulaC11H15FN2O
Molecular Weight210.25 g/mol
Exact Mass210.12
IUPAC Name3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol
SMILESCC(NC1CC(O)C1)c1ccc(F)cn1
InChIInChI=1S/C11H15FN2O/c1-7(14-9-4-10(15)5-9)11-3-2-8(12)6-13-11/h2-3,6-7,9-10,14-15H,4-5H2,1H3
InChIKeyCHBGYRWIPCYXOI-UHFFFAOYSA-N
XLogP1.39
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol?
The IUPAC name of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol (CID 83119906) is 3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol.
What is the SMILES notation for 3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol?
The canonical SMILES for 3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol is CC(NC1CC(O)C1)c1ccc(F)cn1.
What is the InChIKey of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol?
The InChIKey is CHBGYRWIPCYXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O/c1-7(14-9-4-10(15)5-9)11-3-2-8(12)6-13-11/h2-3,6-7,9-10,14-15H,4-5H2,1H3.
What are the key properties of 3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol?
3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol has a molecular weight of 210.25 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(5-fluoro-2-pyridinyl)ethylamino]cyclobutan-1-ol is sourced from PubChem (CID 83119906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).