N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine

C13H18N2O — CID 117180965

IUPACN-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc2c(CN)cccc12
InChIInChI=1S/C13H18N2O/c1-9(2)15-7-11-8-16-13-10(6-14)4-3-5-12(11)13/h3-5,8-9,15H,6-7,14H2,1-2H3
InChIKeyZSLGIOPVZOFJJW-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.39
Rot. Bonds4

About N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine

N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine (PubChem CID 117180965) has the molecular formula C13H18N2O and a molecular weight of 218.30 g/mol. Its IUPAC name is N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
PubChem CID117180965
Molecular FormulaC13H18N2O
Molecular Weight218.30 g/mol
Exact Mass218.14
IUPAC NameN-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1coc2c(CN)cccc12
InChIInChI=1S/C13H18N2O/c1-9(2)15-7-11-8-16-13-10(6-14)4-3-5-12(11)13/h3-5,8-9,15H,6-7,14H2,1-2H3
InChIKeyZSLGIOPVZOFJJW-UHFFFAOYSA-N
XLogP2.39
TPSA51.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine (CID 117180965) is N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine is CC(C)NCc1coc2c(CN)cccc12.
What is the InChIKey of N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine?
The InChIKey is ZSLGIOPVZOFJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O/c1-9(2)15-7-11-8-16-13-10(6-14)4-3-5-12(11)13/h3-5,8-9,15H,6-7,14H2,1-2H3.
What are the key properties of N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine?
N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine has a molecular weight of 218.30 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(aminomethyl)-1-benzofuran-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 117180965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).