2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine

C13H13F2NO2 — CID 55168512

IUPAC2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)Oc2cc(F)ccc2F)o1
InChIInChI=1S/C13H13F2NO2/c1-8-2-5-11(17-8)13(7-16)18-12-6-9(14)3-4-10(12)15/h2-6,13H,7,16H2,1H3
InChIKeyWYKNAVYYQLNETI-UHFFFAOYSA-N
MW253.25 g/mol
LogP2.95
Rot. Bonds4

About 2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine

2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine (PubChem CID 55168512) has the molecular formula C13H13F2NO2 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine
PubChem CID55168512
Molecular FormulaC13H13F2NO2
Molecular Weight253.25 g/mol
Exact Mass253.09
IUPAC Name2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(CN)Oc2cc(F)ccc2F)o1
InChIInChI=1S/C13H13F2NO2/c1-8-2-5-11(17-8)13(7-16)18-12-6-9(14)3-4-10(12)15/h2-6,13H,7,16H2,1H3
InChIKeyWYKNAVYYQLNETI-UHFFFAOYSA-N
XLogP2.95
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of 2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine (CID 55168512) is 2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for 2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for 2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(CN)Oc2cc(F)ccc2F)o1.
What is the InChIKey of 2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine?
The InChIKey is WYKNAVYYQLNETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO2/c1-8-2-5-11(17-8)13(7-16)18-12-6-9(14)3-4-10(12)15/h2-6,13H,7,16H2,1H3.
What are the key properties of 2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine?
2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine has a molecular weight of 253.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenoxy)-2-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 55168512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).