(1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine

C13H19FN2O — CID 114058638

IUPAC(1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine
SMILESCC1COCCN1c1c(F)cccc1[C@H](C)N
InChIInChI=1S/C13H19FN2O/c1-9-8-17-7-6-16(9)13-11(10(2)15)4-3-5-12(13)14/h3-5,9-10H,6-8,15H2,1-2H3/t9?,10-/m0/s1
InChIKeyXQDQZSZOFWJFCO-AXDSSHIGSA-N
MW238.31 g/mol
LogP2.07
Rot. Bonds2

About (1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine

(1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine (PubChem CID 114058638) has the molecular formula C13H19FN2O and a molecular weight of 238.31 g/mol. Its IUPAC name is (1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine
PubChem CID114058638
Molecular FormulaC13H19FN2O
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine
SMILESCC1COCCN1c1c(F)cccc1[C@H](C)N
InChIInChI=1S/C13H19FN2O/c1-9-8-17-7-6-16(9)13-11(10(2)15)4-3-5-12(13)14/h3-5,9-10H,6-8,15H2,1-2H3/t9?,10-/m0/s1
InChIKeyXQDQZSZOFWJFCO-AXDSSHIGSA-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 (1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine?
The IUPAC name of (1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine (CID 114058638) is (1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine.
What is the SMILES notation for (1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine?
The canonical SMILES for (1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine is CC1COCCN1c1c(F)cccc1[C@H](C)N.
What is the InChIKey of (1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine?
The InChIKey is XQDQZSZOFWJFCO-AXDSSHIGSA-N. The full InChI is InChI=1S/C13H19FN2O/c1-9-8-17-7-6-16(9)13-11(10(2)15)4-3-5-12(13)14/h3-5,9-10H,6-8,15H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine?
(1S)-1-[3-fluoro-2-(3-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 (1S)-1-[3-fluoro-2-(3-methylmorpholin-4-yl)phenyl]ethanamine is sourced from PubChem (CID 114058638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).