5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine

C11H16FN3O — CID 23227170

IUPAC5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine
SMILESCCNc1cc(OCC2CCN2)cnc1F
InChIInChI=1S/C11H16FN3O/c1-2-13-10-5-9(6-15-11(10)12)16-7-8-3-4-14-8/h5-6,8,13-14H,2-4,7H2,1H3
InChIKeyKNYIVRCDYUAIKR-UHFFFAOYSA-N
MW225.27 g/mol
LogP1.39
Rot. Bonds5

About 5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine

5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine (PubChem CID 23227170) has the molecular formula C11H16FN3O and a molecular weight of 225.27 g/mol. Its IUPAC name is 5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine.

Molecular Properties

Compound Name5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine
PubChem CID23227170
Molecular FormulaC11H16FN3O
Molecular Weight225.27 g/mol
Exact Mass225.13
IUPAC Name5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine
SMILESCCNc1cc(OCC2CCN2)cnc1F
InChIInChI=1S/C11H16FN3O/c1-2-13-10-5-9(6-15-11(10)12)16-7-8-3-4-14-8/h5-6,8,13-14H,2-4,7H2,1H3
InChIKeyKNYIVRCDYUAIKR-UHFFFAOYSA-N
XLogP1.39
TPSA46.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine?
The IUPAC name of 5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine (CID 23227170) is 5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine.
What is the SMILES notation for 5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine?
The canonical SMILES for 5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine is CCNc1cc(OCC2CCN2)cnc1F.
What is the InChIKey of 5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine?
The InChIKey is KNYIVRCDYUAIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FN3O/c1-2-13-10-5-9(6-15-11(10)12)16-7-8-3-4-14-8/h5-6,8,13-14H,2-4,7H2,1H3.
What are the key properties of 5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine?
5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine has a molecular weight of 225.27 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-2-ylmethoxy)-N-ethyl-2-fluoropyridin-3-amine is sourced from PubChem (CID 23227170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).