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

C14H18N2O — CID 62417780

IUPACN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
SMILESCN(Cc1c(CN)oc2ccccc12)C1CC1
InChIInChI=1S/C14H18N2O/c1-16(10-6-7-10)9-12-11-4-2-3-5-13(11)17-14(12)8-15/h2-5,10H,6-9,15H2,1H3
InChIKeyFTBNJXBKBRJERE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.49
Rot. Bonds4

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

N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine (PubChem CID 62417780) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
PubChem CID62417780
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine
SMILESCN(Cc1c(CN)oc2ccccc12)C1CC1
InChIInChI=1S/C14H18N2O/c1-16(10-6-7-10)9-12-11-4-2-3-5-13(11)17-14(12)8-15/h2-5,10H,6-9,15H2,1H3
InChIKeyFTBNJXBKBRJERE-UHFFFAOYSA-N
XLogP2.49
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine 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-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine?
The IUPAC name of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine (CID 62417780) is N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine.
What is the SMILES notation for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine?
The canonical SMILES for N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine is CN(Cc1c(CN)oc2ccccc12)C1CC1.
What is the InChIKey of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine?
The InChIKey is FTBNJXBKBRJERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-16(10-6-7-10)9-12-11-4-2-3-5-13(11)17-14(12)8-15/h2-5,10H,6-9,15H2,1H3.
What are the key properties of N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine?
N-[[2-(aminomethyl)-1-benzofuran-3-yl]methyl]-N-methylcyclopropanamine has a molecular weight of 230.31 g/mol, XLogP of 2.49, 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-methylcyclopropanamine is sourced from PubChem (CID 62417780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).