1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine

C12H17FN2O — CID 79712531

IUPAC1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc(F)cn1)C1CCOCC1
InChIInChI=1S/C12H17FN2O/c1-14-12(9-4-6-16-7-5-9)11-3-2-10(13)8-15-11/h2-3,8-9,12,14H,4-7H2,1H3
InChIKeyQXHHMZYBVBVPSJ-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.91
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine

1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine (PubChem CID 79712531) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine
PubChem CID79712531
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine
SMILESCNC(c1ccc(F)cn1)C1CCOCC1
InChIInChI=1S/C12H17FN2O/c1-14-12(9-4-6-16-7-5-9)11-3-2-10(13)8-15-11/h2-3,8-9,12,14H,4-7H2,1H3
InChIKeyQXHHMZYBVBVPSJ-UHFFFAOYSA-N
XLogP1.91
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine (CID 79712531) is 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine is CNC(c1ccc(F)cn1)C1CCOCC1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine?
The InChIKey is QXHHMZYBVBVPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-14-12(9-4-6-16-7-5-9)11-3-2-10(13)8-15-11/h2-3,8-9,12,14H,4-7H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine?
1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine has a molecular weight of 224.28 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N-methyl-1-(oxan-4-yl)methanamine is sourced from PubChem (CID 79712531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).