2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine

C12H16F3NO3 — CID 79492226

IUPAC2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(c1ccccc1OC(F)(F)F)C(OC)OC
InChIInChI=1S/C12H16F3NO3/c1-16-10(11(17-2)18-3)8-6-4-5-7-9(8)19-12(13,14)15/h4-7,10-11,16H,1-3H3
InChIKeyVYWGARXVTBTTFT-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.46
Rot. Bonds6

About 2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine

2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 79492226) has the molecular formula C12H16F3NO3 and a molecular weight of 279.26 g/mol. Its IUPAC name is 2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
PubChem CID79492226
Molecular FormulaC12H16F3NO3
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC Name2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(c1ccccc1OC(F)(F)F)C(OC)OC
InChIInChI=1S/C12H16F3NO3/c1-16-10(11(17-2)18-3)8-6-4-5-7-9(8)19-12(13,14)15/h4-7,10-11,16H,1-3H3
InChIKeyVYWGARXVTBTTFT-UHFFFAOYSA-N
XLogP2.46
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116715413
2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116716585
1-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 63084391
1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine
CID 139965943
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720263
[2-methoxy-1-[2-(trifluoromethoxy)phenyl]pentyl]hydrazine
CID 105271821
1-(5-chlorothiophen-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 115850814
N-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141589
2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116719687
methyl 2-amino-2-[2-(trifluoromethoxy)phenyl]acetate
CID 60795431
N-methyl-1-(5-methylpyrazin-2-yl)-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 105141538
3-(furan-2-yl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141555

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine (CID 79492226) is 2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine is CNC(c1ccccc1OC(F)(F)F)C(OC)OC.
What is the InChIKey of 2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is VYWGARXVTBTTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3NO3/c1-16-10(11(17-2)18-3)8-6-4-5-7-9(8)19-12(13,14)15/h4-7,10-11,16H,1-3H3.
What are the key properties of 2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine?
2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 279.26 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 79492226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).