1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine

C10H14ClFN2O — CID 79733959

IUPAC1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COc1ncc(Cl)cc1F
InChIInChI=1S/C10H14ClFN2O/c1-3-10(2,13)6-15-9-8(12)4-7(11)5-14-9/h4-5H,3,6,13H2,1-2H3
InChIKeyACYXKFCHSFAGBK-UHFFFAOYSA-N
MW232.69 g/mol
LogP2.38
Rot. Bonds4

About 1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine

1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine (PubChem CID 79733959) has the molecular formula C10H14ClFN2O and a molecular weight of 232.69 g/mol. Its IUPAC name is 1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine.

Molecular Properties

Compound Name1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine
PubChem CID79733959
Molecular FormulaC10H14ClFN2O
Molecular Weight232.69 g/mol
Exact Mass232.08
IUPAC Name1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine
SMILESCCC(C)(N)COc1ncc(Cl)cc1F
InChIInChI=1S/C10H14ClFN2O/c1-3-10(2,13)6-15-9-8(12)4-7(11)5-14-9/h4-5H,3,6,13H2,1-2H3
InChIKeyACYXKFCHSFAGBK-UHFFFAOYSA-N
XLogP2.38
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.69
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine?
The IUPAC name of 1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine (CID 79733959) is 1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine.
What is the SMILES notation for 1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine?
The canonical SMILES for 1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine is CCC(C)(N)COc1ncc(Cl)cc1F.
What is the InChIKey of 1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine?
The InChIKey is ACYXKFCHSFAGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClFN2O/c1-3-10(2,13)6-15-9-8(12)4-7(11)5-14-9/h4-5H,3,6,13H2,1-2H3.
What are the key properties of 1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine?
1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine has a molecular weight of 232.69 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-fluoro-2-pyridinyl)oxy]-2-methylbutan-2-amine is sourced from PubChem (CID 79733959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).