1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine

C12H17FN2O — CID 105138825

IUPAC1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O/c13-11-6-10(7-15-8-11)12(14)5-9-1-3-16-4-2-9/h6-9,12H,1-5,14H2
InChIKeyYIJNFZFVLGVKTA-UHFFFAOYSA-N
MW224.28 g/mol
LogP2.04
Rot. Bonds3

About 1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine

1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine (PubChem CID 105138825) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is 1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine
PubChem CID105138825
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC Name1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine
SMILESNC(CC1CCOCC1)c1cncc(F)c1
InChIInChI=1S/C12H17FN2O/c13-11-6-10(7-15-8-11)12(14)5-9-1-3-16-4-2-9/h6-9,12H,1-5,14H2
InChIKeyYIJNFZFVLGVKTA-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-(3-fluorophenyl)-2-(oxan-4-yl)ethanamine;hydrochloride
CID 131637584
1-(5-fluoro-3-pyridinyl)-2-(oxolan-3-yl)ethanol
CID 103986451
1-(5-fluoro-2-pyridinyl)-2-(oxan-4-yl)ethanamine
CID 79723580
1-(3-fluoro-4-methylphenyl)-2-(oxan-4-yl)ethanamine
CID 62601835
2-cyclopropyl-1-(3,5-difluorophenyl)ethanamine
CID 55272126
(1R)-1-(5-bromo-3-pyridinyl)-2-cyclopropylethanamine;hydrochloride
CID 171198670
1-(5-fluoro-3-pyridinyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424527
2-cyclobutyl-1-(3,5-difluorophenyl)ethanamine
CID 65458373
1-(5-bromothiophen-3-yl)-2-(oxan-4-yl)ethanamine
CID 105138713
(1S)-2-cyclopropyl-1-pyrimidin-5-ylethanamine
CID 130642514
2-(1,3-dioxolan-2-yl)-1-(5-fluoro-3-pyridinyl)ethanol
CID 103547374
1,4-dioxan-2-yl-(5-fluoro-3-pyridinyl)methanamine
CID 65352820

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine?
The IUPAC name of 1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine (CID 105138825) is 1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine.
What is the SMILES notation for 1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine?
The canonical SMILES for 1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine is NC(CC1CCOCC1)c1cncc(F)c1.
What is the InChIKey of 1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine?
The InChIKey is YIJNFZFVLGVKTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c13-11-6-10(7-15-8-11)12(14)5-9-1-3-16-4-2-9/h6-9,12H,1-5,14H2.
What are the key properties of 1-(5-fluoro-3-pyridinyl)-2-(oxan-4-yl)ethanamine?
1-(5-fluoro-3-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-3-pyridinyl)-2-(oxan-4-yl)ethanamine is sourced from PubChem (CID 105138825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).