[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine

C13H18F3N3O — CID 58873780

IUPAC[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESC[C@@H]1CN(c2nc(C(F)(F)F)ccc2CN)C[C@H](C)O1
InChIInChI=1S/C13H18F3N3O/c1-8-6-19(7-9(2)20-8)12-10(5-17)3-4-11(18-12)13(14,15)16/h3-4,8-9H,5-7,17H2,1-2H3/t8-,9+
InChIKeyFCOBLJTVGIWLJE-DTORHVGOSA-N
MW289.30 g/mol
LogP2.17
Rot. Bonds2

About [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine

[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine (PubChem CID 58873780) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine.

Molecular Properties

Compound Name[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
PubChem CID58873780
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine
SMILESC[C@@H]1CN(c2nc(C(F)(F)F)ccc2CN)C[C@H](C)O1
InChIInChI=1S/C13H18F3N3O/c1-8-6-19(7-9(2)20-8)12-10(5-17)3-4-11(18-12)13(14,15)16/h3-4,8-9H,5-7,17H2,1-2H3/t8-,9+
InChIKeyFCOBLJTVGIWLJE-DTORHVGOSA-N
XLogP2.17
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The IUPAC name of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine (CID 58873780) is [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine.
What is the SMILES notation for [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The canonical SMILES for [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine is C[C@@H]1CN(c2nc(C(F)(F)F)ccc2CN)C[C@H](C)O1.
What is the InChIKey of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
The InChIKey is FCOBLJTVGIWLJE-DTORHVGOSA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8-6-19(7-9(2)20-8)12-10(5-17)3-4-11(18-12)13(14,15)16/h3-4,8-9H,5-7,17H2,1-2H3/t8-,9+.
What are the key properties of [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine?
[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine has a molecular weight of 289.30 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-6-(trifluoromethyl)-3-pyridinyl]methanamine is sourced from PubChem (CID 58873780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).