N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine

C12H12F3NO — CID 117195401

IUPACN-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine
SMILESCNC(C)c1coc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H12F3NO/c1-7(16-2)10-6-17-11-4-3-8(5-9(10)11)12(13,14)15/h3-7,16H,1-2H3
InChIKeyXXLSWPMYKYNZDW-UHFFFAOYSA-N
MW243.23 g/mol
LogP3.73
Rot. Bonds2

About N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine

N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine (PubChem CID 117195401) has the molecular formula C12H12F3NO and a molecular weight of 243.23 g/mol. Its IUPAC name is N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine
PubChem CID117195401
Molecular FormulaC12H12F3NO
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC NameN-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine
SMILESCNC(C)c1coc2ccc(C(F)(F)F)cc12
InChIInChI=1S/C12H12F3NO/c1-7(16-2)10-6-17-11-4-3-8(5-9(10)11)12(13,14)15/h3-7,16H,1-2H3
InChIKeyXXLSWPMYKYNZDW-UHFFFAOYSA-N
XLogP3.73
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[5-(trifluoromethyl)-1-benzofuran-3-yl]propanoic acid
CID 117120641
5-tert-butyl-3-propan-2-yl-1-benzofuran
CID 176774938
2-[1-(methylamino)ethyl]-5-(trifluoromethyl)phenol
CID 130023220
N-methyl-1-[1-propan-2-yl-5-(trifluoromethyl)indol-3-yl]ethanamine
CID 117195462
1-(1-benzofuran-3-yl)-2,2,2-trifluoro-N-methylethanamine
CID 116961416
1-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-ol
CID 117121746
N-methyl-1-[5-[2-methyl-5-(trifluoromethyl)phenyl]furan-2-yl]ethanamine
CID 66476806
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-2-yl]propan-2-amine
CID 117195061
2-[6-(trifluoromethyl)-1-benzofuran-3-yl]propan-2-amine
CID 117121751
2-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline
CID 96763613
(1R)-1-[2-methyl-4-(trifluoromethyl)phenyl]ethanamine
CID 129373327
3-(1-aminoethyl)-1-benzofuran-5-ol;hydrochloride
CID 46741355

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine?
The IUPAC name of N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine (CID 117195401) is N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine.
What is the SMILES notation for N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine?
The canonical SMILES for N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine is CNC(C)c1coc2ccc(C(F)(F)F)cc12.
What is the InChIKey of N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine?
The InChIKey is XXLSWPMYKYNZDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO/c1-7(16-2)10-6-17-11-4-3-8(5-9(10)11)12(13,14)15/h3-7,16H,1-2H3.
What are the key properties of N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine?
N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine has a molecular weight of 243.23 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[5-(trifluoromethyl)-1-benzofuran-3-yl]ethanamine is sourced from PubChem (CID 117195401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).