2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine

C13H12F2N2O — CID 114057573

IUPAC2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine
SMILESNCCc1cccnc1Oc1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2O/c14-10-3-4-11(15)12(8-10)18-13-9(5-6-16)2-1-7-17-13/h1-4,7-8H,5-6,16H2
InChIKeyJOGNAMHDKANKOR-UHFFFAOYSA-N
MW250.25 g/mol
LogP2.65
Rot. Bonds4

About 2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine

2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine (PubChem CID 114057573) has the molecular formula C13H12F2N2O and a molecular weight of 250.25 g/mol. Its IUPAC name is 2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine
PubChem CID114057573
Molecular FormulaC13H12F2N2O
Molecular Weight250.25 g/mol
Exact Mass250.09
IUPAC Name2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine
SMILESNCCc1cccnc1Oc1cc(F)ccc1F
InChIInChI=1S/C13H12F2N2O/c14-10-3-4-11(15)12(8-10)18-13-9(5-6-16)2-1-7-17-13/h1-4,7-8H,5-6,16H2
InChIKeyJOGNAMHDKANKOR-UHFFFAOYSA-N
XLogP2.65
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]ethanamine
CID 114057582
[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methanamine
CID 64854594
2-(2,4-difluorophenoxy)-3-heptylpyridine
CID 59545722
[2-(2,4-difluorophenoxy)-3-pyridinyl]methanol
CID 61256286
2-[2-(5-bromo-2-methylphenoxy)-3-pyridinyl]ethanamine
CID 114057591
N-[[2-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]-2-methylpropan-1-amine
CID 64854495
3-[(2,5-difluorophenyl)methyl]-2-methoxypyridine
CID 168947989
2-[5-fluoro-2-(pyrimidin-2-ylmethoxy)phenyl]ethanamine
CID 107700331
2-[2-[(5-fluoro-2-methylphenoxy)methyl]phenyl]ethanamine
CID 102986586
2-(4-chloro-2-fluorophenoxy)-3-(chloromethyl)pyridine
CID 114267909
2-(4-fluoro-2-methoxyphenyl)ethanamine
CID 55254856
2-(2-fluoro-5-methylphenoxy)pyridin-3-amine
CID 64855365

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine?
The IUPAC name of 2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine (CID 114057573) is 2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine.
What is the SMILES notation for 2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine?
The canonical SMILES for 2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine is NCCc1cccnc1Oc1cc(F)ccc1F.
What is the InChIKey of 2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine?
The InChIKey is JOGNAMHDKANKOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2O/c14-10-3-4-11(15)12(8-10)18-13-9(5-6-16)2-1-7-17-13/h1-4,7-8H,5-6,16H2.
What are the key properties of 2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine?
2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine has a molecular weight of 250.25 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-difluorophenoxy)-3-pyridinyl]ethanamine is sourced from PubChem (CID 114057573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).