2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine

C12H16F3NO2 — CID 57498513

IUPAC2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
SMILESCOc1cc(CC(F)(F)F)c(OC)cc1CCN
InChIInChI=1S/C12H16F3NO2/c1-17-10-6-9(7-12(13,14)15)11(18-2)5-8(10)3-4-16/h5-6H,3-4,7,16H2,1-2H3
InChIKeyDVENUPQPPXYSLN-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.31
Rot. Bonds5

About 2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine

2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine (PubChem CID 57498513) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
PubChem CID57498513
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine
SMILESCOc1cc(CC(F)(F)F)c(OC)cc1CCN
InChIInChI=1S/C12H16F3NO2/c1-17-10-6-9(7-12(13,14)15)11(18-2)5-8(10)3-4-16/h5-6H,3-4,7,16H2,1-2H3
InChIKeyDVENUPQPPXYSLN-UHFFFAOYSA-N
XLogP2.31
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-hexafluoro-2-methylpropan-2-yl)-2,5-dimethoxyphenyl]ethanamine
CID 169149363
1-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]propan-2-amine
CID 170143488
2,5-bis(2-aminoethyl)-4-methoxyphenol
CID 117274744
2-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylselanyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534553
2-(5-fluoro-2-methoxy-4-methylphenyl)ethanamine
CID 55254656
2-(2,5-dimethoxy-4-prop-1-ynylphenyl)ethanamine
CID 171652322
2-[5-(1-fluoroethyl)-2,4-dimethoxyphenyl]ethanamine
CID 117327151
2-[4-(1,1,1,3,3,3-hexafluoropropan-2-ylsulfinyl)-2,5-dimethoxyphenyl]ethanamine
CID 171534504
2-[4-(1,1-difluorobut-3-ynyl)-2,5-dimethoxyphenyl]ethanamine
CID 169149409
2-[5-methoxy-7-(2,2,2-trifluoroethyl)-1-benzofuran-4-yl]ethanamine
CID 162430088
2-[2,5-dimethoxy-4-(1,1,3-trifluoropropylsulfonyl)phenyl]ethanamine
CID 171534516

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine?
The IUPAC name of 2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine (CID 57498513) is 2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine.
What is the SMILES notation for 2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine?
The canonical SMILES for 2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine is COc1cc(CC(F)(F)F)c(OC)cc1CCN.
What is the InChIKey of 2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine?
The InChIKey is DVENUPQPPXYSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-17-10-6-9(7-12(13,14)15)11(18-2)5-8(10)3-4-16/h5-6H,3-4,7,16H2,1-2H3.
What are the key properties of 2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine?
2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dimethoxy-4-(2,2,2-trifluoroethyl)phenyl]ethanamine is sourced from PubChem (CID 57498513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).