2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine

C12H14F3NO2 — CID 107524036

IUPAC2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(COC1COC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)10-4-2-1-3-9(10)11(16)7-18-8-5-17-6-8/h1-4,8,11H,5-7,16H2
InChIKeyUELMZZFBQTUSQB-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.12
Rot. Bonds4

About 2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine

2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 107524036) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID107524036
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(COC1COC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)10-4-2-1-3-9(10)11(16)7-18-8-5-17-6-8/h1-4,8,11H,5-7,16H2
InChIKeyUELMZZFBQTUSQB-UHFFFAOYSA-N
XLogP2.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107523475
1-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 13034547
(1S)-3,3,3-trifluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103693880
(2S)-2-amino-2-[2-(trifluoromethyl)phenyl]ethanol
CID 66514163
2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105145392
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103148910
(1S)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313078
(1R)-3,3-difluoro-1-[2-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313711
2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine
CID 114058365
2-(2-bicyclo[2.2.1]heptanyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 115853955
1-[2-(trifluoromethyl)phenyl]decan-1-amine
CID 115831210

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 107524036) is 2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine is NC(COC1COC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is UELMZZFBQTUSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)10-4-2-1-3-9(10)11(16)7-18-8-5-17-6-8/h1-4,8,11H,5-7,16H2.
What are the key properties of 2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine?
2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 261.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 107524036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).