2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine

C13H19F3N2O2 — CID 169246542

IUPAC2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine
SMILESCOc1cc(CCCC(F)(F)F)c(OC)nc1CCN
InChIInChI=1S/C13H19F3N2O2/c1-19-11-8-9(4-3-6-13(14,15)16)12(20-2)18-10(11)5-7-17/h8H,3-7,17H2,1-2H3
InChIKeyDGOYYOBPHLCMEX-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.48
Rot. Bonds7

About 2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine

2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine (PubChem CID 169246542) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine.

Molecular Properties

Compound Name2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine
PubChem CID169246542
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine
SMILESCOc1cc(CCCC(F)(F)F)c(OC)nc1CCN
InChIInChI=1S/C13H19F3N2O2/c1-19-11-8-9(4-3-6-13(14,15)16)12(20-2)18-10(11)5-7-17/h8H,3-7,17H2,1-2H3
InChIKeyDGOYYOBPHLCMEX-UHFFFAOYSA-N
XLogP2.48
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine?
The IUPAC name of 2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine (CID 169246542) is 2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine.
What is the SMILES notation for 2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine?
The canonical SMILES for 2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine is COc1cc(CCCC(F)(F)F)c(OC)nc1CCN.
What is the InChIKey of 2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine?
The InChIKey is DGOYYOBPHLCMEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-19-11-8-9(4-3-6-13(14,15)16)12(20-2)18-10(11)5-7-17/h8H,3-7,17H2,1-2H3.
What are the key properties of 2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine?
2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine has a molecular weight of 292.30 g/mol, XLogP of 2.48, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,6-dimethoxy-5-(4,4,4-trifluorobutyl)-2-pyridinyl]ethanamine is sourced from PubChem (CID 169246542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).