2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine

C13H19FN2O — CID 82621572

IUPAC2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine
SMILESCOc1ccc(C2CCNC2CCN)cc1F
InChIInChI=1S/C13H19FN2O/c1-17-13-3-2-9(8-11(13)14)10-5-7-16-12(10)4-6-15/h2-3,8,10,12,16H,4-7,15H2,1H3
InChIKeyLKDLKHJBIAROBB-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.63
Rot. Bonds4

About 2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine

2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine (PubChem CID 82621572) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine.

Molecular Properties

Compound Name2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine
PubChem CID82621572
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine
SMILESCOc1ccc(C2CCNC2CCN)cc1F
InChIInChI=1S/C13H19FN2O/c1-17-13-3-2-9(8-11(13)14)10-5-7-16-12(10)4-6-15/h2-3,8,10,12,16H,4-7,15H2,1H3
InChIKeyLKDLKHJBIAROBB-UHFFFAOYSA-N
XLogP1.63
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine?
The IUPAC name of 2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine (CID 82621572) is 2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine.
What is the SMILES notation for 2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine?
The canonical SMILES for 2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine is COc1ccc(C2CCNC2CCN)cc1F.
What is the InChIKey of 2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine?
The InChIKey is LKDLKHJBIAROBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-17-13-3-2-9(8-11(13)14)10-5-7-16-12(10)4-6-15/h2-3,8,10,12,16H,4-7,15H2,1H3.
What are the key properties of 2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine?
2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine has a molecular weight of 238.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-yl]ethanamine is sourced from PubChem (CID 82621572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).