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

C16H24N2O — CID 62438385

IUPACN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1oc2ccccc2c1CN
InChIInChI=1S/C16H24N2O/c1-3-9-18(10-4-2)12-16-14(11-17)13-7-5-6-8-15(13)19-16/h5-8H,3-4,9-12,17H2,1-2H3
InChIKeyJHZDZOZEJYRLMF-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.51
Rot. Bonds7

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

N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine (PubChem CID 62438385) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine
PubChem CID62438385
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine
SMILESCCCN(CCC)Cc1oc2ccccc2c1CN
InChIInChI=1S/C16H24N2O/c1-3-9-18(10-4-2)12-16-14(11-17)13-7-5-6-8-15(13)19-16/h5-8H,3-4,9-12,17H2,1-2H3
InChIKeyJHZDZOZEJYRLMF-UHFFFAOYSA-N
XLogP3.51
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine?
The IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine (CID 62438385) is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine.
What is the SMILES notation for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine?
The canonical SMILES for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine is CCCN(CCC)Cc1oc2ccccc2c1CN.
What is the InChIKey of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine?
The InChIKey is JHZDZOZEJYRLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-3-9-18(10-4-2)12-16-14(11-17)13-7-5-6-8-15(13)19-16/h5-8H,3-4,9-12,17H2,1-2H3.
What are the key properties of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine?
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine has a molecular weight of 260.38 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-propylpropan-1-amine is sourced from PubChem (CID 62438385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).