1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine

C13H20FN3 — CID 83126482

IUPAC1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
SMILESCC1CCCN1CCC(N)c1ccc(F)cn1
InChIInChI=1S/C13H20FN3/c1-10-3-2-7-17(10)8-6-12(15)13-5-4-11(14)9-16-13/h4-5,9-10,12H,2-3,6-8,15H2,1H3
InChIKeyLQAAZWALLBHGQD-UHFFFAOYSA-N
MW237.32 g/mol
LogP2.09
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine

1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine (PubChem CID 83126482) has the molecular formula C13H20FN3 and a molecular weight of 237.32 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
PubChem CID83126482
Molecular FormulaC13H20FN3
Molecular Weight237.32 g/mol
Exact Mass237.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
SMILESCC1CCCN1CCC(N)c1ccc(F)cn1
InChIInChI=1S/C13H20FN3/c1-10-3-2-7-17(10)8-6-12(15)13-5-4-11(14)9-16-13/h4-5,9-10,12H,2-3,6-8,15H2,1H3
InChIKeyLQAAZWALLBHGQD-UHFFFAOYSA-N
XLogP2.09
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,5-dimethylpiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126303
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126722
3-(2-ethylazepan-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 104692034
1-(5-fluoro-2-pyridinyl)-3-(4-methylazepan-1-yl)propan-1-amine
CID 83126507
1-(5-fluoro-2-pyridinyl)-N-methyl-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 83126206
1-(5-fluoro-2-pyridinyl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-1-amine
CID 114596815
[4-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-5-methylmorpholin-2-yl]methanol
CID 83126729
[1-[3-amino-3-(5-fluoro-2-pyridinyl)propyl]piperidin-3-yl]methanol
CID 83126773
1-(5-fluoro-2-pyridinyl)-3-thiomorpholin-4-ylpropan-1-amine
CID 83125999
1-(5-fluoro-2-pyridinyl)-3-(4-methyl-1,4-diazepan-1-yl)propan-1-amine
CID 83126705
1-(2-fluorophenyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine
CID 62643379
3-(4-ethoxypiperidin-1-yl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 83126355

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine (CID 83126482) is 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine is CC1CCCN1CCC(N)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine?
The InChIKey is LQAAZWALLBHGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3/c1-10-3-2-7-17(10)8-6-12(15)13-5-4-11(14)9-16-13/h4-5,9-10,12H,2-3,6-8,15H2,1H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine?
1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine has a molecular weight of 237.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-(2-methylpyrrolidin-1-yl)propan-1-amine is sourced from PubChem (CID 83126482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).