2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine

C14H17F3N2O — CID 62426194

IUPAC2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine
SMILESCNCc1c(CN(C)CC(F)(F)F)oc2ccccc12
InChIInChI=1S/C14H17F3N2O/c1-18-7-11-10-5-3-4-6-12(10)20-13(11)8-19(2)9-14(15,16)17/h3-6,18H,7-9H2,1-2H3
InChIKeyVYUADFLWFSFHQK-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.15
Rot. Bonds5

About 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine

2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 62426194) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID62426194
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine
SMILESCNCc1c(CN(C)CC(F)(F)F)oc2ccccc12
InChIInChI=1S/C14H17F3N2O/c1-18-7-11-10-5-3-4-6-12(10)20-13(11)8-19(2)9-14(15,16)17/h3-6,18H,7-9H2,1-2H3
InChIKeyVYUADFLWFSFHQK-UHFFFAOYSA-N
XLogP3.15
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine (CID 62426194) is 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine is CNCc1c(CN(C)CC(F)(F)F)oc2ccccc12.
What is the InChIKey of 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is VYUADFLWFSFHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-18-7-11-10-5-3-4-6-12(10)20-13(11)8-19(2)9-14(15,16)17/h3-6,18H,7-9H2,1-2H3.
What are the key properties of 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine?
2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 286.30 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 62426194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).