N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine

C15H22N2O — CID 62418759

IUPACN-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2ccccc2c1CN(C)CC
InChIInChI=1S/C15H22N2O/c1-4-16-10-15-13(11-17(3)5-2)12-8-6-7-9-14(12)18-15/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyHLICOTOJVNAHNM-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.99
Rot. Bonds6

About N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine

N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine (PubChem CID 62418759) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
PubChem CID62418759
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine
SMILESCCNCc1oc2ccccc2c1CN(C)CC
InChIInChI=1S/C15H22N2O/c1-4-16-10-15-13(11-17(3)5-2)12-8-6-7-9-14(12)18-15/h6-9,16H,4-5,10-11H2,1-3H3
InChIKeyHLICOTOJVNAHNM-UHFFFAOYSA-N
XLogP2.99
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine (CID 62418759) is N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine is CCNCc1oc2ccccc2c1CN(C)CC.
What is the InChIKey of N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine?
The InChIKey is HLICOTOJVNAHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-4-16-10-15-13(11-17(3)5-2)12-8-6-7-9-14(12)18-15/h6-9,16H,4-5,10-11H2,1-3H3.
What are the key properties of N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine?
N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine has a molecular weight of 246.35 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[ethyl(methyl)amino]methyl]-1-benzofuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 62418759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).