1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

C14H16F3NO2 — CID 66274561

IUPAC1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCNC(COC(C)C(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C14H16F3NO2/c1-9(14(15,16)17)19-8-11(18-2)13-7-10-5-3-4-6-12(10)20-13/h3-7,9,11,18H,8H2,1-2H3
InChIKeyUXGGUERLXDBWAY-UHFFFAOYSA-N
MW287.28 g/mol
LogP3.66
Rot. Bonds5

About 1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine

1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (PubChem CID 66274561) has the molecular formula C14H16F3NO2 and a molecular weight of 287.28 g/mol. Its IUPAC name is 1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.

Molecular Properties

Compound Name1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
PubChem CID66274561
Molecular FormulaC14H16F3NO2
Molecular Weight287.28 g/mol
Exact Mass287.11
IUPAC Name1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine
SMILESCNC(COC(C)C(F)(F)F)c1cc2ccccc2o1
InChIInChI=1S/C14H16F3NO2/c1-9(14(15,16)17)19-8-11(18-2)13-7-10-5-3-4-6-12(10)20-13/h3-7,9,11,18H,8H2,1-2H3
InChIKeyUXGGUERLXDBWAY-UHFFFAOYSA-N
XLogP3.66
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-benzofuran-2-yl)-3,3,3-trifluoro-N-methyl-2-(trifluoromethyl)propan-1-amine
CID 103312315
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1-(1-benzofuran-2-yl)-N-methyl-2-phenylethanamine
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1-(1-benzofuran-2-yl)-4-methoxy-N-methylbutan-1-amine
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1-(1-benzofuran-2-yl)-2-(4-fluorophenyl)-N-methylethanamine
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1-(1-benzofuran-2-yl)-2-ethylsulfanyl-N-methylethanamine
CID 64615500
1-(1-benzofuran-2-yl)-N,3-dimethylbut-3-en-1-amine
CID 79185588
1-(1-benzofuran-2-yl)-2,2-difluoro-N-methylethanamine
CID 103759858
1-(1-benzofuran-2-yl)-N-methyldecan-1-amine
CID 63418238
1-(1-benzofuran-2-yl)-N-methyl-3-pyridin-2-ylpropan-1-amine
CID 105184842
2-butan-2-yl-1-benzofuran
CID 12065919
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CID 114731162

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The IUPAC name of 1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine (CID 66274561) is 1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine.
What is the SMILES notation for 1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The canonical SMILES for 1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is CNC(COC(C)C(F)(F)F)c1cc2ccccc2o1.
What is the InChIKey of 1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
The InChIKey is UXGGUERLXDBWAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3NO2/c1-9(14(15,16)17)19-8-11(18-2)13-7-10-5-3-4-6-12(10)20-13/h3-7,9,11,18H,8H2,1-2H3.
What are the key properties of 1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine?
1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine has a molecular weight of 287.28 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-2-yl)-N-methyl-2-(1,1,1-trifluoropropan-2-yloxy)ethanamine is sourced from PubChem (CID 66274561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).