N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

C15H19F3N2O — CID 62426195

IUPACN-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCNCc1c(CN(C)CC(F)(F)F)oc2ccccc12
InChIInChI=1S/C15H19F3N2O/c1-3-19-8-12-11-6-4-5-7-13(11)21-14(12)9-20(2)10-15(16,17)18/h4-7,19H,3,8-10H2,1-2H3
InChIKeyZLILTBURCDBDPW-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.54
Rot. Bonds6

About N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 62426195) has the molecular formula C15H19F3N2O and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID62426195
Molecular FormulaC15H19F3N2O
Molecular Weight300.32 g/mol
Exact Mass300.14
IUPAC NameN-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCNCc1c(CN(C)CC(F)(F)F)oc2ccccc12
InChIInChI=1S/C15H19F3N2O/c1-3-19-8-12-11-6-4-5-7-13(11)21-14(12)9-20(2)10-15(16,17)18/h4-7,19H,3,8-10H2,1-2H3
InChIKeyZLILTBURCDBDPW-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-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (CID 62426195) is N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is CCNCc1c(CN(C)CC(F)(F)F)oc2ccccc12.
What is the InChIKey of N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is ZLILTBURCDBDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O/c1-3-19-8-12-11-6-4-5-7-13(11)21-14(12)9-20(2)10-15(16,17)18/h4-7,19H,3,8-10H2,1-2H3.
What are the key properties of N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine 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-[[3-(ethylaminomethyl)-1-benzofuran-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 62426195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).