2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine

C18H23F4N3O2 — CID 68844821

IUPAC2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine
SMILESCc1ccc(OCCN)c(C)n1.NCCOc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F4NO.C9H14N2O/c10-8-2-1-6(15-4-3-14)5-7(8)9(11,12)13;1-7-3-4-9(8(2)11-7)12-6-5-10/h1-2,5H,3-4,14H2;3-4H,5-6,10H2,1-2H3
InChIKeyMSDMZYJEZQIRKU-UHFFFAOYSA-N
MW389.39 g/mol
LogP3.22
Rot. Bonds6

About 2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine

2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine (PubChem CID 68844821) has the molecular formula C18H23F4N3O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine.

Molecular Properties

Compound Name2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine
PubChem CID68844821
Molecular FormulaC18H23F4N3O2
Molecular Weight389.39 g/mol
Exact Mass389.17
IUPAC Name2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine
SMILESCc1ccc(OCCN)c(C)n1.NCCOc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C9H9F4NO.C9H14N2O/c10-8-2-1-6(15-4-3-14)5-7(8)9(11,12)13;1-7-3-4-9(8(2)11-7)12-6-5-10/h1-2,5H,3-4,14H2;3-4H,5-6,10H2,1-2H3
InChIKeyMSDMZYJEZQIRKU-UHFFFAOYSA-N
XLogP3.22
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine?
The IUPAC name of 2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine (CID 68844821) is 2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine.
What is the SMILES notation for 2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine?
The canonical SMILES for 2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine is Cc1ccc(OCCN)c(C)n1.NCCOc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine?
The InChIKey is MSDMZYJEZQIRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F4NO.C9H14N2O/c10-8-2-1-6(15-4-3-14)5-7(8)9(11,12)13;1-7-3-4-9(8(2)11-7)12-6-5-10/h1-2,5H,3-4,14H2;3-4H,5-6,10H2,1-2H3.
What are the key properties of 2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine?
2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine has a molecular weight of 389.39 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyl-3-pyridinyl)oxy]ethanamine;2-[4-fluoro-3-(trifluoromethyl)phenoxy]ethanamine is sourced from PubChem (CID 68844821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).