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

C15H19F3N2O — CID 62428222

IUPACN-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCN(Cc1c(CNC)oc2ccccc12)CC(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-3-20(10-15(16,17)18)9-12-11-6-4-5-7-13(11)21-14(12)8-19-2/h4-7,19H,3,8-10H2,1-2H3
InChIKeyAJTBLVZRURZZNE-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.54
Rot. Bonds6

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

N-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine (PubChem CID 62428222) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
PubChem CID62428222
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCN(Cc1c(CNC)oc2ccccc12)CC(F)(F)F
InChIInChI=1S/C15H19F3N2O/c1-3-20(10-15(16,17)18)9-12-11-6-4-5-7-13(11)21-14(12)8-19-2/h4-7,19H,3,8-10H2,1-2H3
InChIKeyAJTBLVZRURZZNE-UHFFFAOYSA-N
XLogP3.54
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The IUPAC name of N-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine (CID 62428222) is N-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine is CCN(Cc1c(CNC)oc2ccccc12)CC(F)(F)F.
What is the InChIKey of N-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine?
The InChIKey is AJTBLVZRURZZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-3-20(10-15(16,17)18)9-12-11-6-4-5-7-13(11)21-14(12)8-19-2/h4-7,19H,3,8-10H2,1-2H3.
What are the key properties of N-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine?
N-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine has a molecular weight of 300.32 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2,2-trifluoro-N-[[2-(methylaminomethyl)-1-benzofuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 62428222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).