2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine

C14H18F3NO2 — CID 107523475

IUPAC2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(COC1CCOCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)12-4-2-1-3-11(12)13(18)9-20-10-5-7-19-8-6-10/h1-4,10,13H,5-9,18H2
InChIKeyNNGZODIONPAXDE-UHFFFAOYSA-N
MW289.30 g/mol
LogP2.90
Rot. Bonds4

About 2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine

2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 107523475) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID107523475
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESNC(COC1CCOCC1)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3NO2/c15-14(16,17)12-4-2-1-3-11(12)13(18)9-20-10-5-7-19-8-6-10/h1-4,10,13H,5-9,18H2
InChIKeyNNGZODIONPAXDE-UHFFFAOYSA-N
XLogP2.90
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(oxetan-3-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107524036
1-(4-methylphenyl)-2-(oxan-4-yloxy)ethanamine
CID 61287973
2-cycloheptyloxy-1-(2-fluorophenyl)ethanamine
CID 114058365
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-tert-butylphenyl)-(oxan-4-yl)methanamine
CID 115856077
2-(4-chlorophenoxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 105145392
2-amino-2-[2-(trifluoromethyl)phenyl]ethanol;methane
CID 160725618
cyclobutyl-[2-(trifluoromethyl)phenyl]methanamine
CID 64986967
3-(2,2-difluoroethoxy)-1-[2-(trifluoromethyl)phenyl]propan-1-amine
CID 103148910
1-[2-(oxan-4-yloxy)phenyl]ethanamine
CID 61288976

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 107523475) is 2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine is NC(COC1CCOCC1)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is NNGZODIONPAXDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c15-14(16,17)12-4-2-1-3-11(12)13(18)9-20-10-5-7-19-8-6-10/h1-4,10,13H,5-9,18H2.
What are the key properties of 2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine?
2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 289.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 107523475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).