[5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine

C16H24N2O2 — CID 117442867

IUPAC[5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(C2CC(CN)CN2C)cc2c1OC(C)C2
InChIInChI=1S/C16H24N2O2/c1-10-4-13-6-12(7-15(19-3)16(13)20-10)14-5-11(8-17)9-18(14)2/h6-7,10-11,14H,4-5,8-9,17H2,1-3H3
InChIKeyBAXHPXPTSADTOX-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.97
Rot. Bonds3

About [5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine

[5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine (PubChem CID 117442867) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is [5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine
PubChem CID117442867
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name[5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine
SMILESCOc1cc(C2CC(CN)CN2C)cc2c1OC(C)C2
InChIInChI=1S/C16H24N2O2/c1-10-4-13-6-12(7-15(19-3)16(13)20-10)14-5-11(8-17)9-18(14)2/h6-7,10-11,14H,4-5,8-9,17H2,1-3H3
InChIKeyBAXHPXPTSADTOX-UHFFFAOYSA-N
XLogP1.97
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine (CID 117442867) is [5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine is COc1cc(C2CC(CN)CN2C)cc2c1OC(C)C2.
What is the InChIKey of [5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine?
The InChIKey is BAXHPXPTSADTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-10-4-13-6-12(7-15(19-3)16(13)20-10)14-5-11(8-17)9-18(14)2/h6-7,10-11,14H,4-5,8-9,17H2,1-3H3.
What are the key properties of [5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine?
[5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine has a molecular weight of 276.38 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(7-methoxy-2-methyl-2,3-dihydro-1-benzofuran-5-yl)-1-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 117442867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).