1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine

C12H17FN2O — CID 79723580

IUPAC1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)c1ccc(F)cn1
InChIInChI=1S/C12H17FN2O/c13-10-1-2-12(15-8-10)11(14)7-9-3-5-16-6-4-9/h1-2,8-9,11H,3-7,14H2
InChIKeyIBEWPRDDAVKQES-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.04
Rot. Bonds3

About 1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine

1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine (PubChem CID 79723580) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine
PubChem CID79723580
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)c1ccc(F)cn1
InChIInChI=1S/C12H17FN2O/c13-10-1-2-12(15-8-10)11(14)7-9-3-5-16-6-4-9/h1-2,8-9,11H,3-7,14H2
InChIKeyIBEWPRDDAVKQES-UHFFFAOYSA-N
XLogP2.04
TPSA48.14 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 ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanol
CID 79721741
(5-fluoro-2-pyridinyl)-(oxan-4-yl)methanamine
CID 79721967
1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 105138825
1-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584
(1S)-1-(5-bromo-2-pyridinyl)-2-cyclopropylethanamine
CID 131118486
(1R)-2-cyclopropyl-1-(5-methyl-2-pyridinyl)ethanamine
CID 55291646
2-cyclopropyl-1-[5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 112693374
cyclopentyl-(5-fluoro-2-pyridinyl)methanamine
CID 79721472
1-(5-fluoro-2-pyridinyl)-3-[methyl(oxan-4-ylmethyl)amino]propan-1-ol
CID 83126451
1-(2-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131675141
1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
CID 62601835
1-(5-fluoro-2-pyridinyl)pent-4-yn-1-amine
CID 79721767

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine (CID 79723580) is 1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine is NC(CC1CCOCC1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine?
The InChIKey is IBEWPRDDAVKQES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-10-1-2-12(15-8-10)11(14)7-9-3-5-16-6-4-9/h1-2,8-9,11H,3-7,14H2.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine?
1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine has a molecular weight of 224.28 g/mol, XLogP of 2.04, 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)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 79723580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).