2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine

C11H14F3NO2 — CID 169149369

IUPAC2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine
SMILES[2H]C([2H])([2H])Oc1cc(C(F)(F)F)c(OC([2H])([2H])[2H])cc1CCN
InChIInChI=1S/C11H14F3NO2/c1-16-9-6-8(11(12,13)14)10(17-2)5-7(9)3-4-15/h5-6H,3-4,15H2,1-2H3/i1D3,2D3
InChIKeyLYXGNMLWYONZID-WFGJKAKNSA-N
MW255.27 g/mol
LogP2.22
Rot. Bonds6

About 2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine

2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine (PubChem CID 169149369) has the molecular formula C11H14F3NO2 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine
PubChem CID169149369
Molecular FormulaC11H14F3NO2
Molecular Weight255.27 g/mol
Exact Mass255.14
IUPAC Name2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine
SMILES[2H]C([2H])([2H])Oc1cc(C(F)(F)F)c(OC([2H])([2H])[2H])cc1CCN
InChIInChI=1S/C11H14F3NO2/c1-16-9-6-8(11(12,13)14)10(17-2)5-7(9)3-4-15/h5-6H,3-4,15H2,1-2H3/i1D3,2D3
InChIKeyLYXGNMLWYONZID-WFGJKAKNSA-N
XLogP2.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-fluoro-2,5-bis(trideuteriomethoxy)phenyl]ethanamine
CID 169440593
2-[4-(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)-2,5-dimethoxyphenyl]ethanamine
CID 169149363
2-[4-(1,1-difluorobut-3-ynyl)-2,5-dimethoxyphenyl]ethanamine
CID 169149409
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
CID 57498513
2-(4-fluoro-3,6-dimethoxy(213C)cyclohexa-1,3,5-trien-1-yl)ethanamine
CID 71493307
2-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylselanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534553
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfinyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534504
[2-chloro-4-methoxy-5-(trifluoromethyl)phenyl]methanamine
CID 171020934
CID 162430150
CID 162430150
2-[3,4-bis(trideuteriomethoxy)phenyl]ethanamine
CID 54765058
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of 2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine (CID 169149369) is 2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine is [2H]C([2H])([2H])Oc1cc(C(F)(F)F)c(OC([2H])([2H])[2H])cc1CCN.
What is the InChIKey of 2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is LYXGNMLWYONZID-WFGJKAKNSA-N. The full InChI is InChI=1S/C11H14F3NO2/c1-16-9-6-8(11(12,13)14)10(17-2)5-7(9)3-4-15/h5-6H,3-4,15H2,1-2H3/i1D3,2D3.
What are the key properties of 2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine?
2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 255.27 g/mol, XLogP of 2.22, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(trideuteriomethoxy)-4-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 169149369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).