N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine

C15H22N2O — CID 62420279

IUPACN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)Cc1c(CN)oc2ccccc12
InChIInChI=1S/C15H22N2O/c1-3-9-17(4-2)11-13-12-7-5-6-8-14(12)18-15(13)10-16/h5-8H,3-4,9-11,16H2,1-2H3
InChIKeyIXHRFBINSDIKOA-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.12
Rot. Bonds6

About N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine

N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine (PubChem CID 62420279) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
PubChem CID62420279
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine
SMILESCCCN(CC)Cc1c(CN)oc2ccccc12
InChIInChI=1S/C15H22N2O/c1-3-9-17(4-2)11-13-12-7-5-6-8-14(12)18-15(13)10-16/h5-8H,3-4,9-11,16H2,1-2H3
InChIKeyIXHRFBINSDIKOA-UHFFFAOYSA-N
XLogP3.12
TPSA42.40 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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine?
The IUPAC name of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine (CID 62420279) is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine?
The canonical SMILES for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine is CCCN(CC)Cc1c(CN)oc2ccccc12.
What is the InChIKey of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine?
The InChIKey is IXHRFBINSDIKOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-3-9-17(4-2)11-13-12-7-5-6-8-14(12)18-15(13)10-16/h5-8H,3-4,9-11,16H2,1-2H3.
What are the key properties of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine?
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine has a molecular weight of 246.35 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-ethylpropan-1-amine is sourced from PubChem (CID 62420279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).