2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine

C13H19FN2O — CID 114065916

IUPAC2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine
SMILESCC1CN(c2cccc(F)c2CCN)CCO1
InChIInChI=1S/C13H19FN2O/c1-10-9-16(7-8-17-10)13-4-2-3-12(14)11(13)5-6-15/h2-4,10H,5-9,15H2,1H3
InChIKeyXFFFGJLLWFHEJJ-UHFFFAOYSA-N
MW238.31 g/mol
LogP1.55
Rot. Bonds3

About 2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine

2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine (PubChem CID 114065916) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine
PubChem CID114065916
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine
SMILESCC1CN(c2cccc(F)c2CCN)CCO1
InChIInChI=1S/C13H19FN2O/c1-10-9-16(7-8-17-10)13-4-2-3-12(14)11(13)5-6-15/h2-4,10H,5-9,15H2,1H3
InChIKeyXFFFGJLLWFHEJJ-UHFFFAOYSA-N
XLogP1.55
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of 2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine (CID 114065916) is 2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for 2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine is CC1CN(c2cccc(F)c2CCN)CCO1.
What is the InChIKey of 2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine?
The InChIKey is XFFFGJLLWFHEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-10-9-16(7-8-17-10)13-4-2-3-12(14)11(13)5-6-15/h2-4,10H,5-9,15H2,1H3.
What are the key properties of 2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine?
2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine has a molecular weight of 238.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 114065916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).