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

C14H20N2O — CID 62425555

IUPACN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1c(CN)oc2ccccc12
InChIInChI=1S/C14H20N2O/c1-10(2)16(3)9-12-11-6-4-5-7-13(11)17-14(12)8-15/h4-7,10H,8-9,15H2,1-3H3
InChIKeySJCKHBLMTJOCAM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.73
Rot. Bonds4

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

N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine (PubChem CID 62425555) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
PubChem CID62425555
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1c(CN)oc2ccccc12
InChIInChI=1S/C14H20N2O/c1-10(2)16(3)9-12-11-6-4-5-7-13(11)17-14(12)8-15/h4-7,10H,8-9,15H2,1-3H3
InChIKeySJCKHBLMTJOCAM-UHFFFAOYSA-N
XLogP2.73
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.73
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-methylpropan-2-amine?
The IUPAC name of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine (CID 62425555) is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine is CC(C)N(C)Cc1c(CN)oc2ccccc12.
What is the InChIKey of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is SJCKHBLMTJOCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)16(3)9-12-11-6-4-5-7-13(11)17-14(12)8-15/h4-7,10H,8-9,15H2,1-3H3.
What are the key properties of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine?
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 232.33 g/mol, XLogP of 2.73, 4 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-methylpropan-2-amine is sourced from PubChem (CID 62425555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).