1-[2-(2,5-difluorophenoxy)phenyl]ethanamine

C14H13F2NO — CID 55168326

IUPAC1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1Oc1cc(F)ccc1F
InChIInChI=1S/C14H13F2NO/c1-9(17)11-4-2-3-5-13(11)18-14-8-10(15)6-7-12(14)16/h2-9H,17H2,1H3
InChIKeyGAPSQQLMPJSHSV-UHFFFAOYSA-N
MW249.26 g/mol
LogP3.78
Rot. Bonds3

About 1-[2-(2,5-difluorophenoxy)phenyl]ethanamine

1-[2-(2,5-difluorophenoxy)phenyl]ethanamine (PubChem CID 55168326) has the molecular formula C14H13F2NO and a molecular weight of 249.26 g/mol. Its IUPAC name is 1-[2-(2,5-difluorophenoxy)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
PubChem CID55168326
Molecular FormulaC14H13F2NO
Molecular Weight249.26 g/mol
Exact Mass249.10
IUPAC Name1-[2-(2,5-difluorophenoxy)phenyl]ethanamine
SMILESCC(N)c1ccccc1Oc1cc(F)ccc1F
InChIInChI=1S/C14H13F2NO/c1-9(17)11-4-2-3-5-13(11)18-14-8-10(15)6-7-12(14)16/h2-9H,17H2,1H3
InChIKeyGAPSQQLMPJSHSV-UHFFFAOYSA-N
XLogP3.78
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-fluoro-5-methylphenoxy)phenyl]ethanamine
CID 64855797
(1S)-1-[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]ethanamine
CID 104940716
1-[2-(2,3-difluorophenoxy)phenyl]ethanamine
CID 55143803
(1S)-1-[2-(2,5-dichlorophenoxy)phenyl]ethanamine
CID 28551604
1-[5-fluoro-2-(2-methylsulfanylphenoxy)phenyl]ethanamine
CID 63649355
(1S)-1-[2-(3-fluoro-4-methylphenoxy)phenyl]ethanamine
CID 107169557
2,4-difluoro-1-(2-propan-2-ylphenoxy)benzene
CID 54486908
1-[2-(4-chlorophenoxy)phenyl]ethanamine
CID 43189173
(1R)-1-[2-(4-chloro-2-methylphenoxy)-5-fluorophenyl]ethanamine
CID 29275289
(1S)-1-(4-fluoro-2-propan-2-yloxyphenyl)ethanamine
CID 78935870
1-[2-(2,5-difluorophenyl)sulfanylphenyl]ethanamine
CID 43519087
1-[2-(2,5-difluorophenoxy)-5-fluorophenyl]propan-2-amine
CID 63803167

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,5-difluorophenoxy)phenyl]ethanamine?
The IUPAC name of 1-[2-(2,5-difluorophenoxy)phenyl]ethanamine (CID 55168326) is 1-[2-(2,5-difluorophenoxy)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(2,5-difluorophenoxy)phenyl]ethanamine?
The canonical SMILES for 1-[2-(2,5-difluorophenoxy)phenyl]ethanamine is CC(N)c1ccccc1Oc1cc(F)ccc1F.
What is the InChIKey of 1-[2-(2,5-difluorophenoxy)phenyl]ethanamine?
The InChIKey is GAPSQQLMPJSHSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO/c1-9(17)11-4-2-3-5-13(11)18-14-8-10(15)6-7-12(14)16/h2-9H,17H2,1H3.
What are the key properties of 1-[2-(2,5-difluorophenoxy)phenyl]ethanamine?
1-[2-(2,5-difluorophenoxy)phenyl]ethanamine has a molecular weight of 249.26 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,5-difluorophenoxy)phenyl]ethanamine is sourced from PubChem (CID 55168326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).