N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

C17H24N2O — CID 61471730

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O/c1-13(12-19-9-5-6-10-19)18-14(2)17-11-15-7-3-4-8-16(15)20-17/h3-4,7-8,11,13-14,18H,5-6,9-10,12H2,1-2H3
InChIKeyDLBISCDMNHZWGY-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.57
Rot. Bonds5

About N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine

N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (PubChem CID 61471730) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
PubChem CID61471730
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
SMILESCC(CN1CCCC1)NC(C)c1cc2ccccc2o1
InChIInChI=1S/C17H24N2O/c1-13(12-19-9-5-6-10-19)18-14(2)17-11-15-7-3-4-8-16(15)20-17/h3-4,7-8,11,13-14,18H,5-6,9-10,12H2,1-2H3
InChIKeyDLBISCDMNHZWGY-UHFFFAOYSA-N
XLogP3.57
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]butan-2-amine
CID 43190306
N-[1-(1-benzofuran-2-yl)ethyl]pent-4-yn-2-amine
CID 115725359
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472055
N-[1-(1-benzofuran-2-yl)ethyl]heptan-3-amine
CID 63944731
ethyl (3R)-1-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]piperidine-3-carboxylate
CID 8561364
N-[1-(2-methylphenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749115
N-[1-(2-chlorophenyl)ethyl]-1-piperidin-1-ylpropan-2-amine
CID 43749075
(2S)-2-[1-(1-benzofuran-2-yl)ethylamino]-2-phenylethanol
CID 103784129
3-[1-(1-benzofuran-2-yl)ethylamino]-4-methylpentan-1-ol
CID 103786549
N-[1-(1-benzofuran-2-yl)ethyl]cyclopropanamine
CID 18071242
N-[1-(2,5-dimethylfuran-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 54952768
1-(1-benzofuran-2-yl)-2-(3,4-dimethylpyrrolidin-1-yl)-N-ethylethanamine
CID 79177613

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine (CID 61471730) is N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is CC(CN1CCCC1)NC(C)c1cc2ccccc2o1.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
The InChIKey is DLBISCDMNHZWGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-13(12-19-9-5-6-10-19)18-14(2)17-11-15-7-3-4-8-16(15)20-17/h3-4,7-8,11,13-14,18H,5-6,9-10,12H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine?
N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine has a molecular weight of 272.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine is sourced from PubChem (CID 61471730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).