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

C16H22N2O — CID 80701226

IUPACN-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCc1coc2ccccc12
InChIInChI=1S/C16H22N2O/c1-13(11-18-8-4-5-9-18)17-10-14-12-19-16-7-3-2-6-15(14)16/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3
InChIKeyKYXXZMBLXNMHJH-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.01
Rot. Bonds5

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

N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 80701226) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID80701226
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC NameN-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NCc1coc2ccccc12
InChIInChI=1S/C16H22N2O/c1-13(11-18-8-4-5-9-18)17-10-14-12-19-16-7-3-2-6-15(14)16/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3
InChIKeyKYXXZMBLXNMHJH-UHFFFAOYSA-N
XLogP3.01
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-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

1-[2-(1-benzofuran-3-ylmethylamino)propyl]pyrrolidin-2-one
CID 80700350
2-[(1-pyrrolidin-1-ylpropan-2-ylamino)methyl]phenol
CID 54953010
N-(1-benzofuran-3-ylmethyl)pent-4-yn-2-amine
CID 115750447
1-(1-benzofuran-3-ylmethyl)pyrrolidine
CID 67148297
N-(1-benzofuran-3-ylmethyl)-1-phenylpropan-2-amine
CID 80700525
N-[(2-ethylphenyl)methyl]-1-piperidin-1-ylpropan-2-amine
CID 55067398
N-(1-benzofuran-3-ylmethyl)but-3-yn-2-amine
CID 114414908
N-(1-benzofuran-3-ylmethyl)-4-methylsulfanylbutan-2-amine
CID 115750426
N-(1-benzofuran-3-ylmethyl)-1-cyclopropylethanamine
CID 79690307
3-(1-benzofuran-3-ylmethylamino)butanamide
CID 115677058
N-(1-benzofuran-3-ylmethyl)octan-2-amine
CID 80700860
N-(1-benzofuran-3-ylmethyl)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 80703134

Frequently Asked Questions

What is the IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine (CID 80701226) is N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine is CC(CN1CCCC1)NCc1coc2ccccc12.
What is the InChIKey of N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is KYXXZMBLXNMHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-13(11-18-8-4-5-9-18)17-10-14-12-19-16-7-3-2-6-15(14)16/h2-3,6-7,12-13,17H,4-5,8-11H2,1H3.
What are the key properties of N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine?
N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 258.37 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzofuran-3-ylmethyl)-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 80701226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).