N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine

C13H18F3NO2 — CID 105145817

IUPACN-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(COC(C)C)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-9(2)18-8-12(17-3)10-5-4-6-11(7-10)19-13(14,15)16/h4-7,9,12,17H,8H2,1-3H3
InChIKeyFEUFROBQPFWHIS-UHFFFAOYSA-N
MW277.29 g/mol
LogP3.27
Rot. Bonds6

About N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine

N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 105145817) has the molecular formula C13H18F3NO2 and a molecular weight of 277.29 g/mol. Its IUPAC name is N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine
PubChem CID105145817
Molecular FormulaC13H18F3NO2
Molecular Weight277.29 g/mol
Exact Mass277.13
IUPAC NameN-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESCNC(COC(C)C)c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C13H18F3NO2/c1-9(2)18-8-12(17-3)10-5-4-6-11(7-10)19-13(14,15)16/h4-7,9,12,17H,8H2,1-3H3
InChIKeyFEUFROBQPFWHIS-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

N-methyl-1-[3-(trifluoromethoxy)phenyl]pent-4-yn-1-amine
CID 112749243
1-(3-cyclopropyloxyphenyl)-N-methyl-2-propan-2-yloxyethanamine
CID 105188537
N-methyl-1-phenyl-1-[3-(trifluoromethoxy)phenyl]methanamine
CID 62916540
2-ethyl-2-methoxy-N-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 116761004
[4-methyl-1-[3-(trifluoromethoxy)phenyl]pentyl]hydrazine
CID 105207651
ethane;1-propan-2-yl-3-(trifluoromethoxy)benzene;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 143418599
(1S)-2-methyl-1-[3-(trifluoromethoxy)phenyl]butan-1-amine
CID 171229811
2-(2,2-dimethylhydrazinyl)-2-[3-(trifluoromethoxy)phenyl]ethanamine
CID 107104668
3-(methylamino)-1-[3-(trifluoromethoxy)phenyl]propane-1,2-diol
CID 171858529
N-[1-[3-(difluoromethoxy)phenyl]-2-propan-2-yloxyethyl]propan-1-amine
CID 105013280
(1S)-4-methyl-1-[3-(trifluoromethoxy)phenyl]pentan-1-amine
CID 94895047
1-hexan-2-yl-3-(trifluoromethoxy)benzene
CID 123947966

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine (CID 105145817) is N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine is CNC(COC(C)C)c1cccc(OC(F)(F)F)c1.
What is the InChIKey of N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is FEUFROBQPFWHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3NO2/c1-9(2)18-8-12(17-3)10-5-4-6-11(7-10)19-13(14,15)16/h4-7,9,12,17H,8H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine?
N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine 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 N-methyl-2-propan-2-yloxy-1-[3-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 105145817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).