2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline

C12H16F3NO2 — CID 115257712

IUPAC2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1cc(NCC(F)(F)F)c(OC)c(C)c1C
InChIInChI=1S/C12H16F3NO2/c1-7-8(2)11(18-4)9(5-10(7)17-3)16-6-12(13,14)15/h5,16H,6H2,1-4H3
InChIKeyIIZDIOYJSGXDLF-UHFFFAOYSA-N
MW263.26 g/mol
LogP3.29
Rot. Bonds4

About 2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline

2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline (PubChem CID 115257712) has the molecular formula C12H16F3NO2 and a molecular weight of 263.26 g/mol. Its IUPAC name is 2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline.

Molecular Properties

Compound Name2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline
PubChem CID115257712
Molecular FormulaC12H16F3NO2
Molecular Weight263.26 g/mol
Exact Mass263.11
IUPAC Name2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline
SMILESCOc1cc(NCC(F)(F)F)c(OC)c(C)c1C
InChIInChI=1S/C12H16F3NO2/c1-7-8(2)11(18-4)9(5-10(7)17-3)16-6-12(13,14)15/h5,16H,6H2,1-4H3
InChIKeyIIZDIOYJSGXDLF-UHFFFAOYSA-N
XLogP3.29
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-dimethoxy-N-(methoxymethyl)-3,4-dimethylaniline
CID 115258305
1-N-(2,5-dimethoxy-3,4-dimethylphenyl)propane-1,2-diamine
CID 115196355
2,5-difluoro-4-methoxy-N-(2,2,2-trifluoroethyl)aniline
CID 115257699
3-(2,5-dimethoxy-3,4-dimethylanilino)propanenitrile
CID 115230722
3-(2,4-dimethoxy-3-methylanilino)-2,2-dimethylpropan-1-ol
CID 115135137
N-[(2,4-dimethoxy-3-methylphenyl)methyl]-2,2,2-trifluoroethanamine
CID 115257877
N-(2,5-dimethoxy-3,4-dimethylphenyl)-2-oxopropanamide
CID 115175414
1-N-(4-methoxy-2,3,5-trimethylphenyl)-2-methylpropane-1,2-diamine
CID 115135651
1-(2,5-dimethoxy-3,4-dimethylphenyl)-2-methylpropan-2-ol
CID 116928719
methyl 2-(2,5-dimethoxy-3,4-dimethylphenyl)acetate
CID 15812003
1-(4,5-dimethoxy-2-methylanilino)-2-methylpropan-2-ol
CID 115136773
2,5-dimethoxy-3,4-dimethylbenzonitrile
CID 117282326

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
The IUPAC name of 2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline (CID 115257712) is 2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline.
What is the SMILES notation for 2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
The canonical SMILES for 2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline is COc1cc(NCC(F)(F)F)c(OC)c(C)c1C.
What is the InChIKey of 2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
The InChIKey is IIZDIOYJSGXDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO2/c1-7-8(2)11(18-4)9(5-10(7)17-3)16-6-12(13,14)15/h5,16H,6H2,1-4H3.
What are the key properties of 2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline?
2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline has a molecular weight of 263.26 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethoxy-3,4-dimethyl-N-(2,2,2-trifluoroethyl)aniline is sourced from PubChem (CID 115257712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).