N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine

C13H16N2O — CID 115208111

IUPACN-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine
SMILESc1ccc2c(NCC3CCCN3)coc2c1
InChIInChI=1S/C13H16N2O/c1-2-6-13-11(5-1)12(9-16-13)15-8-10-4-3-7-14-10/h1-2,5-6,9-10,14-15H,3-4,7-8H2
InChIKeyNJHZHSILLBKDRK-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.60
Rot. Bonds3

About N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine

N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine (PubChem CID 115208111) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine.

Molecular Properties

Compound NameN-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine
PubChem CID115208111
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine
SMILESc1ccc2c(NCC3CCCN3)coc2c1
InChIInChI=1S/C13H16N2O/c1-2-6-13-11(5-1)12(9-16-13)15-8-10-4-3-7-14-10/h1-2,5-6,9-10,14-15H,3-4,7-8H2
InChIKeyNJHZHSILLBKDRK-UHFFFAOYSA-N
XLogP2.60
TPSA37.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

N-[(4-aminocyclohexyl)methyl]-1-benzofuran-3-amine
CID 115213357
2-methylsulfanyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637178
N-[[(2S)-pyrrolidin-2-yl]methyl]-1,2-benzothiazol-3-amine
CID 97178372
2-piperidin-1-yl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106636550
4-phenyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 24936245
2-phenoxy-N-(piperidin-2-ylmethyl)aniline
CID 106632819
N-(1-benzofuran-3-yl)piperidine-3-carboxamide
CID 115159864
2-(ethoxymethyl)-N-(pyrrolidin-2-ylmethyl)aniline
CID 106637775
N'-(1-benzofuran-3-yl)-2,2-dimethylpropane-1,3-diamine
CID 115199863
2-fluoro-5-methoxy-N-(pyrrolidin-2-ylmethyl)aniline
CID 106638811
4-methyl-2-oxo-N-(pyrrolidin-2-ylmethyl)chromene-3-carboxamide;hydrochloride
CID 119513544
3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 79841307

Frequently Asked Questions

What is the IUPAC name of N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine?
The IUPAC name of N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine (CID 115208111) is N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine.
What is the SMILES notation for N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine?
The canonical SMILES for N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine is c1ccc2c(NCC3CCCN3)coc2c1.
What is the InChIKey of N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine?
The InChIKey is NJHZHSILLBKDRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-6-13-11(5-1)12(9-16-13)15-8-10-4-3-7-14-10/h1-2,5-6,9-10,14-15H,3-4,7-8H2.
What are the key properties of N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine?
N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine has a molecular weight of 216.28 g/mol, XLogP of 2.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyrrolidin-2-ylmethyl)-1-benzofuran-3-amine is sourced from PubChem (CID 115208111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).