1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine

C17H24N2O — CID 62438605

IUPAC1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCCC1CCCN1Cc1oc2ccccc2c1CNC
InChIInChI=1S/C17H24N2O/c1-3-13-7-6-10-19(13)12-17-15(11-18-2)14-8-4-5-9-16(14)20-17/h4-5,8-9,13,18H,3,6-7,10-12H2,1-2H3
InChIKeyXTGCJTXCDFGGRS-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.53
Rot. Bonds5

About 1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine

1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine (PubChem CID 62438605) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
PubChem CID62438605
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine
SMILESCCC1CCCN1Cc1oc2ccccc2c1CNC
InChIInChI=1S/C17H24N2O/c1-3-13-7-6-10-19(13)12-17-15(11-18-2)14-8-4-5-9-16(14)20-17/h4-5,8-9,13,18H,3,6-7,10-12H2,1-2H3
InChIKeyXTGCJTXCDFGGRS-UHFFFAOYSA-N
XLogP3.53
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 ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine (CID 62438605) is 1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine is CCC1CCCN1Cc1oc2ccccc2c1CNC.
What is the InChIKey of 1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
The InChIKey is XTGCJTXCDFGGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-3-13-7-6-10-19(13)12-17-15(11-18-2)14-8-4-5-9-16(14)20-17/h4-5,8-9,13,18H,3,6-7,10-12H2,1-2H3.
What are the key properties of 1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine?
1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine has a molecular weight of 272.39 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-ethylpyrrolidin-1-yl)methyl]-1-benzofuran-3-yl]-N-methylmethanamine is sourced from PubChem (CID 62438605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).