2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine

C13H18F3NO2 — CID 116715413

IUPAC2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCCC(OC)C(NC)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-4-10(18-3)12(17-2)9-7-5-6-8-11(9)19-13(14,15)16/h5-8,10,12,17H,4H2,1-3H3
InChIKeyVYBAWFRSFHLGSF-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.27
Rot. Bonds6

About 2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine

2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine (PubChem CID 116715413) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is 2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine.

Molecular Properties

Compound Name2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
PubChem CID116715413
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC Name2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
SMILESCCC(OC)C(NC)c1ccccc1OC(F)(F)F
InChIInChI=1S/C13H18F3NO2/c1-4-10(18-3)12(17-2)9-7-5-6-8-11(9)19-13(14,15)16/h5-8,10,12,17H,4H2,1-3H3
InChIKeyVYBAWFRSFHLGSF-UHFFFAOYSA-N
XLogP3.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116716585
2,2-dimethoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 79492226
[2-methoxy-1-[2-(trifluoromethoxy)phenyl]pentyl]hydrazine
CID 105271821
N-ethyl-2-methoxy-3-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine
CID 116720263
1-butan-2-yl-2-(trifluoromethoxy)benzene;ethane
CID 142580959
2-butan-2-ylsulfanyl-N-methyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 65136492
1-(2-fluorophenyl)-N-methyl-1-[2-(trifluoromethoxy)phenyl]methanamine
CID 63084391
[2-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propyl]hydrazine
CID 114222154
1-(2-fluoro-5-methylphenyl)-2-methoxy-N-methylbutan-1-amine
CID 116715348
N-methyl-3-methylsulfanyl-1-[2-(trifluoromethoxy)phenyl]propan-1-amine
CID 105141589
1-[2,6-bis(trifluoromethoxy)phenyl]-N,2-dimethylpropan-1-amine
CID 139965943
methyl 2-amino-4-[2-(trifluoromethoxy)phenyl]hexanoate
CID 174512723

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
The IUPAC name of 2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine (CID 116715413) is 2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine.
What is the SMILES notation for 2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
The canonical SMILES for 2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine is CCC(OC)C(NC)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
The InChIKey is VYBAWFRSFHLGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-4-10(18-3)12(17-2)9-7-5-6-8-11(9)19-13(14,15)16/h5-8,10,12,17H,4H2,1-3H3.
What are the key properties of 2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine?
2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine has a molecular weight of 277.29 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-1-[2-(trifluoromethoxy)phenyl]butan-1-amine is sourced from PubChem (CID 116715413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).