1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine

C13H19FN2O — CID 43188755

IUPAC1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine
SMILESCC1CN(c2cccc(F)c2C(C)N)CCO1
InChIInChI=1S/C13H19FN2O/c1-9-8-16(6-7-17-9)12-5-3-4-11(14)13(12)10(2)15/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyBLWGSZVGANSYJO-UHFFFAOYSA-N
MW238.31 g/mol
LogP2.07
Rot. Bonds2

About 1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine

1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine (PubChem CID 43188755) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is 1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine
PubChem CID43188755
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine
SMILESCC1CN(c2cccc(F)c2C(C)N)CCO1
InChIInChI=1S/C13H19FN2O/c1-9-8-16(6-7-17-9)12-5-3-4-11(14)13(12)10(2)15/h3-5,9-10H,6-8,15H2,1-2H3
InChIKeyBLWGSZVGANSYJO-UHFFFAOYSA-N
XLogP2.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of 1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine (CID 43188755) is 1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for 1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine is CC1CN(c2cccc(F)c2C(C)N)CCO1.
What is the InChIKey of 1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine?
The InChIKey is BLWGSZVGANSYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-8-16(6-7-17-9)12-5-3-4-11(14)13(12)10(2)15/h3-5,9-10H,6-8,15H2,1-2H3.
What are the key properties of 1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine?
1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine has a molecular weight of 238.31 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-6-(2-methylmorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 43188755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).