2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine

C10H15FN2 — CID 112566160

IUPAC2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine
SMILESCCC(F)(CN)c1ccc(C)nc1
InChIInChI=1S/C10H15FN2/c1-3-10(11,7-12)9-5-4-8(2)13-6-9/h4-6H,3,7,12H2,1-2H3
InChIKeyJTYHGKIMORNWHH-UHFFFAOYSA-N
MW182.24 g/mol
LogP1.92
Rot. Bonds3

About 2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine

2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine (PubChem CID 112566160) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine.

Molecular Properties

Compound Name2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine
PubChem CID112566160
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine
SMILESCCC(F)(CN)c1ccc(C)nc1
InChIInChI=1S/C10H15FN2/c1-3-10(11,7-12)9-5-4-8(2)13-6-9/h4-6H,3,7,12H2,1-2H3
InChIKeyJTYHGKIMORNWHH-UHFFFAOYSA-N
XLogP1.92
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine?
The IUPAC name of 2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine (CID 112566160) is 2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine.
What is the SMILES notation for 2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine?
The canonical SMILES for 2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine is CCC(F)(CN)c1ccc(C)nc1.
What is the InChIKey of 2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine?
The InChIKey is JTYHGKIMORNWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-3-10(11,7-12)9-5-4-8(2)13-6-9/h4-6H,3,7,12H2,1-2H3.
What are the key properties of 2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine?
2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine has a molecular weight of 182.24 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(6-methyl-3-pyridinyl)butan-1-amine is sourced from PubChem (CID 112566160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).