[3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine

C12H17FN2O2 — CID 114084056

IUPAC[3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine
SMILESNCC1(OCc2cncc(F)c2)CCCOC1
InChIInChI=1S/C12H17FN2O2/c13-11-4-10(5-15-6-11)7-17-12(8-14)2-1-3-16-9-12/h4-6H,1-3,7-9,14H2
InChIKeyNTFCQZAWNHTFSO-UHFFFAOYSA-N
MW240.28 g/mol
LogP1.25
Rot. Bonds4

About [3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine

[3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine (PubChem CID 114084056) has the molecular formula C12H17FN2O2 and a molecular weight of 240.28 g/mol. Its IUPAC name is [3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine.

Molecular Properties

Compound Name[3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine
PubChem CID114084056
Molecular FormulaC12H17FN2O2
Molecular Weight240.28 g/mol
Exact Mass240.13
IUPAC Name[3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine
SMILESNCC1(OCc2cncc(F)c2)CCCOC1
InChIInChI=1S/C12H17FN2O2/c13-11-4-10(5-15-6-11)7-17-12(8-14)2-1-3-16-9-12/h4-6H,1-3,7-9,14H2
InChIKeyNTFCQZAWNHTFSO-UHFFFAOYSA-N
XLogP1.25
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine?
The IUPAC name of [3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine (CID 114084056) is [3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine.
What is the SMILES notation for [3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine?
The canonical SMILES for [3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine is NCC1(OCc2cncc(F)c2)CCCOC1.
What is the InChIKey of [3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine?
The InChIKey is NTFCQZAWNHTFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2/c13-11-4-10(5-15-6-11)7-17-12(8-14)2-1-3-16-9-12/h4-6H,1-3,7-9,14H2.
What are the key properties of [3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine?
[3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine has a molecular weight of 240.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(5-fluoro-3-pyridinyl)methoxy]oxan-3-yl]methanamine is sourced from PubChem (CID 114084056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).