N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine

C17H24N2O2 — CID 62431366

IUPACN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCN(Cc1oc2ccccc2c1CN)CC1CCCCO1
InChIInChI=1S/C17H24N2O2/c1-19(11-13-6-4-5-9-20-13)12-17-15(10-18)14-7-2-3-8-16(14)21-17/h2-3,7-8,13H,4-6,9-12,18H2,1H3
InChIKeyJNDVRXMIQXWPHD-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.89
Rot. Bonds5

About N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine

N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 62431366) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID62431366
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCN(Cc1oc2ccccc2c1CN)CC1CCCCO1
InChIInChI=1S/C17H24N2O2/c1-19(11-13-6-4-5-9-20-13)12-17-15(10-18)14-7-2-3-8-16(14)21-17/h2-3,7-8,13H,4-6,9-12,18H2,1H3
InChIKeyJNDVRXMIQXWPHD-UHFFFAOYSA-N
XLogP2.89
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine (CID 62431366) is N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine is CN(Cc1oc2ccccc2c1CN)CC1CCCCO1.
What is the InChIKey of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is JNDVRXMIQXWPHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-19(11-13-6-4-5-9-20-13)12-17-15(10-18)14-7-2-3-8-16(14)21-17/h2-3,7-8,13H,4-6,9-12,18H2,1H3.
What are the key properties of N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine?
N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 288.39 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(aminomethyl)-1-benzofuran-2-yl]methyl]-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 62431366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).