1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine

C18H26N2O — CID 83219900

IUPAC1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCCC1CCC(C)N1Cc1oc2ccccc2c1CNC
InChIInChI=1S/C18H26N2O/c1-4-14-10-9-13(2)20(14)12-18-16(11-19-3)15-7-5-6-8-17(15)21-18/h5-8,13-14,19H,4,9-12H2,1-3H3
InChIKeyIRYNYIHBCYUFMO-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.92
Rot. Bonds5

About 1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine

1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine (PubChem CID 83219900) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
PubChem CID83219900
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCCC1CCC(C)N1Cc1oc2ccccc2c1CNC
InChIInChI=1S/C18H26N2O/c1-4-14-10-9-13(2)20(14)12-18-16(11-19-3)15-7-5-6-8-17(15)21-18/h5-8,13-14,19H,4,9-12H2,1-3H3
InChIKeyIRYNYIHBCYUFMO-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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Related Compounds

1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62438605
1-[2-[(3-ethylpiperidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62433787
N-methyl-1-[2-(piperidin-1-ylmethyl)-1-benzofuran-3-yl]methanamine
CID 62424895
N-methyl-1-[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 62974116
N-methyl-1-[2-[(4-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443561
1-[2-(cyclopentyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62444638
N-methyl-N-[[3-(methylaminomethyl)-1-benzofuran-2-yl]methyl]cyclohexanamine
CID 62424075
1-[3-[(3,5-dimethylpiperidin-1-yl)methyl]-1-benzofuran-2-yl]-N-methylmethanamine
CID 62423940
N-methyl-1-[2-[(2-methylimidazol-1-yl)methyl]-1-benzofuran-3-yl]methanamine
CID 55072986
1-[2-(cycloheptyloxymethyl)-1-benzofuran-3-yl]-N-methylmethanamine
CID 62459494
N-methyl-1-[2-[(2-methylcyclohexyl)oxymethyl]-1-benzofuran-3-yl]methanamine
CID 62443571
1-[2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
CID 62447902

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine (CID 83219900) is 1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine is CCC1CCC(C)N1Cc1oc2ccccc2c1CNC.
What is the InChIKey of 1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The InChIKey is IRYNYIHBCYUFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-14-10-9-13(2)20(14)12-18-16(11-19-3)15-7-5-6-8-17(15)21-18/h5-8,13-14,19H,4,9-12H2,1-3H3.
What are the key properties of 1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine 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 1-[2-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 83219900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).