[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine

C12H19FN2O — CID 105390800

IUPAC[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine
SMILESCC(C)CC(C)Oc1nccc(CN)c1F
InChIInChI=1S/C12H19FN2O/c1-8(2)6-9(3)16-12-11(13)10(7-14)4-5-15-12/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeyIEXLQCPZDYTVPS-UHFFFAOYSA-N
MW226.29 g/mol
LogP2.49
Rot. Bonds5

About [3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine

[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine (PubChem CID 105390800) has the molecular formula C12H19FN2O and a molecular weight of 226.29 g/mol. Its IUPAC name is [3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine.

Molecular Properties

Compound Name[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine
PubChem CID105390800
Molecular FormulaC12H19FN2O
Molecular Weight226.29 g/mol
Exact Mass226.15
IUPAC Name[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine
SMILESCC(C)CC(C)Oc1nccc(CN)c1F
InChIInChI=1S/C12H19FN2O/c1-8(2)6-9(3)16-12-11(13)10(7-14)4-5-15-12/h4-5,8-9H,6-7,14H2,1-3H3
InChIKeyIEXLQCPZDYTVPS-UHFFFAOYSA-N
XLogP2.49
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.29
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(difluoromethoxy)-3-fluoro-4-pyridinyl]methanamine
CID 168892634
4-(aminomethyl)-3-fluoro-N-(2-methylpropyl)-N-propan-2-ylpyridin-2-amine
CID 105389620
[3-fluoro-2-[2-(2-methylpropoxy)ethoxy]-4-pyridinyl]methanamine
CID 106449463
4-(chloromethyl)-3-fluoro-2-(3-methylbutan-2-yloxy)pyridine
CID 105383887
N-[[3-fluoro-2-(1-methoxypropan-2-yloxy)-4-pyridinyl]methyl]-2-methylpropan-1-amine
CID 105391503
[4-(4-methylpentan-2-yloxy)-2-pyridinyl]methanamine
CID 62292280
[3-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-4-pyridinyl]methanamine
CID 105391741
[2-(4-tert-butylphenoxy)-3-fluoro-4-pyridinyl]methanamine
CID 105391130
3-bromo-2-(4-methylpentan-2-yloxy)pyridine
CID 61373380
[3-fluoro-2-(2-phenoxyethoxy)-4-pyridinyl]methanamine
CID 105390892
4-(aminomethyl)-N-cyclopropyl-3-fluoro-N-(3-methylbutyl)pyridin-2-amine
CID 105389659
3-(4-methylpentan-2-yloxy)pyrazine-2-carbothioamide
CID 62684466

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine?
The IUPAC name of [3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine (CID 105390800) is [3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine.
What is the SMILES notation for [3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine?
The canonical SMILES for [3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine is CC(C)CC(C)Oc1nccc(CN)c1F.
What is the InChIKey of [3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine?
The InChIKey is IEXLQCPZDYTVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FN2O/c1-8(2)6-9(3)16-12-11(13)10(7-14)4-5-15-12/h4-5,8-9H,6-7,14H2,1-3H3.
What are the key properties of [3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine?
[3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine has a molecular weight of 226.29 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2-(4-methylpentan-2-yloxy)-4-pyridinyl]methanamine is sourced from PubChem (CID 105390800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).