6-(4-fluorobutyl)-4-methylpyridin-2-amine

C10H15FN2 — CID 42625618

IUPAC6-(4-fluorobutyl)-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCCCF)c1
InChIInChI=1S/C10H15FN2/c1-8-6-9(4-2-3-5-11)13-10(12)7-8/h6-7H,2-5H2,1H3,(H2,12,13)
InChIKeyOTKWRERYYAYGSY-UHFFFAOYSA-N
MW182.24 g/mol
LogP2.26
Rot. Bonds4

About 6-(4-fluorobutyl)-4-methylpyridin-2-amine

6-(4-fluorobutyl)-4-methylpyridin-2-amine (PubChem CID 42625618) has the molecular formula C10H15FN2 and a molecular weight of 182.24 g/mol. Its IUPAC name is 6-(4-fluorobutyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name6-(4-fluorobutyl)-4-methylpyridin-2-amine
PubChem CID42625618
Molecular FormulaC10H15FN2
Molecular Weight182.24 g/mol
Exact Mass182.12
IUPAC Name6-(4-fluorobutyl)-4-methylpyridin-2-amine
SMILESCc1cc(N)nc(CCCCF)c1
InChIInChI=1S/C10H15FN2/c1-8-6-9(4-2-3-5-11)13-10(12)7-8/h6-7H,2-5H2,1H3,(H2,12,13)
InChIKeyOTKWRERYYAYGSY-UHFFFAOYSA-N
XLogP2.26
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.24
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorobutyl)-4-methylpyridin-2-amine?
The IUPAC name of 6-(4-fluorobutyl)-4-methylpyridin-2-amine (CID 42625618) is 6-(4-fluorobutyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 6-(4-fluorobutyl)-4-methylpyridin-2-amine?
The canonical SMILES for 6-(4-fluorobutyl)-4-methylpyridin-2-amine is Cc1cc(N)nc(CCCCF)c1.
What is the InChIKey of 6-(4-fluorobutyl)-4-methylpyridin-2-amine?
The InChIKey is OTKWRERYYAYGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2/c1-8-6-9(4-2-3-5-11)13-10(12)7-8/h6-7H,2-5H2,1H3,(H2,12,13).
What are the key properties of 6-(4-fluorobutyl)-4-methylpyridin-2-amine?
6-(4-fluorobutyl)-4-methylpyridin-2-amine has a molecular weight of 182.24 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorobutyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 42625618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).