[1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine

C13H20FN3 — CID 114080651

IUPAC[1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1C(C)c1cncc(F)c1
InChIInChI=1S/C13H20FN3/c1-9-3-11(5-15)8-17(9)10(2)12-4-13(14)7-16-6-12/h4,6-7,9-11H,3,5,8,15H2,1-2H3
InChIKeyQGYUSOZOPHJMNY-UHFFFAOYSA-N
MW237.32 g/mol
LogP1.95
Rot. Bonds3

About [1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine

[1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine (PubChem CID 114080651) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is [1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine
PubChem CID114080651
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name[1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine
SMILESCC1CC(CN)CN1C(C)c1cncc(F)c1
InChIInChI=1S/C13H20FN3/c1-9-3-11(5-15)8-17(9)10(2)12-4-13(14)7-16-6-12/h4,6-7,9-11H,3,5,8,15H2,1-2H3
InChIKeyQGYUSOZOPHJMNY-UHFFFAOYSA-N
XLogP1.95
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine (CID 114080651) is [1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine is CC1CC(CN)CN1C(C)c1cncc(F)c1.
What is the InChIKey of [1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
The InChIKey is QGYUSOZOPHJMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-9-3-11(5-15)8-17(9)10(2)12-4-13(14)7-16-6-12/h4,6-7,9-11H,3,5,8,15H2,1-2H3.
What are the key properties of [1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine?
[1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine has a molecular weight of 237.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(5-fluoro-3-pyridinyl)ethyl]-5-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 114080651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).