N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine

C18H26N2O — CID 63218189

IUPACN-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCNCc1c(CN2CCCC2(C)C)oc2ccccc12
InChIInChI=1S/C18H26N2O/c1-4-19-12-15-14-8-5-6-9-16(14)21-17(15)13-20-11-7-10-18(20,2)3/h5-6,8-9,19H,4,7,10-13H2,1-3H3
InChIKeyIMISTWKPCKTPDX-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.92
Rot. Bonds5

About N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine

N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine (PubChem CID 63218189) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine
PubChem CID63218189
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine
SMILESCCNCc1c(CN2CCCC2(C)C)oc2ccccc12
InChIInChI=1S/C18H26N2O/c1-4-19-12-15-14-8-5-6-9-16(14)21-17(15)13-20-11-7-10-18(20,2)3/h5-6,8-9,19H,4,7,10-13H2,1-3H3
InChIKeyIMISTWKPCKTPDX-UHFFFAOYSA-N
XLogP3.92
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine?
The IUPAC name of N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine (CID 63218189) is N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine is CCNCc1c(CN2CCCC2(C)C)oc2ccccc12.
What is the InChIKey of N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine?
The InChIKey is IMISTWKPCKTPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-19-12-15-14-8-5-6-9-16(14)21-17(15)13-20-11-7-10-18(20,2)3/h5-6,8-9,19H,4,7,10-13H2,1-3H3.
What are the key properties of N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine?
N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine has a molecular weight of 286.42 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2,2-dimethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]methyl]ethanamine is sourced from PubChem (CID 63218189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).