1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine

C14H22FN3O — CID 103539032

IUPAC1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCC(OC)C1)c1ccc(F)cn1
InChIInChI=1S/C14H22FN3O/c1-16-13(14-4-3-11(15)9-17-14)6-8-18-7-5-12(10-18)19-2/h3-4,9,12-13,16H,5-8,10H2,1-2H3
InChIKeyLFRIEJJZVMVOAK-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.59
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine

1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine (PubChem CID 103539032) has the molecular formula C14H22FN3O and a molecular weight of 267.35 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
PubChem CID103539032
Molecular FormulaC14H22FN3O
Molecular Weight267.35 g/mol
Exact Mass267.17
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine
SMILESCNC(CCN1CCC(OC)C1)c1ccc(F)cn1
InChIInChI=1S/C14H22FN3O/c1-16-13(14-4-3-11(15)9-17-14)6-8-18-7-5-12(10-18)19-2/h3-4,9,12-13,16H,5-8,10H2,1-2H3
InChIKeyLFRIEJJZVMVOAK-UHFFFAOYSA-N
XLogP1.59
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine (CID 103539032) is 1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine is CNC(CCN1CCC(OC)C1)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine?
The InChIKey is LFRIEJJZVMVOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3O/c1-16-13(14-4-3-11(15)9-17-14)6-8-18-7-5-12(10-18)19-2/h3-4,9,12-13,16H,5-8,10H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine?
1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine has a molecular weight of 267.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-(3-methoxypyrrolidin-1-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 103539032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).