3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol

C16H24N2O2 — CID 114761254

About 3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol

3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol (PubChem CID 114761254) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: 3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol
• PubChem CID: 114761254
• Molecular Formula: C16H24N2O2
• Molecular Weight: 276.38 g/mol
• Exact Mass: 276.18
• IUPAC Name: 3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol
• SMILES: Cc1ccc2c(c1)CC(CN(C)CC1(O)CCNC1)O2
• InChI: InChI=1S/C16H24N2O2/c1-12-3-4-15-13(7-12)8-14(20-15)9-18(2)11-16(19)5-6-17-10-16/h3-4,7,14,17,19H,5-6,8-11H2,1-2H3
• InChIKey: ZMJDNKNAZUKYQS-UHFFFAOYSA-N
• XLogP: 0.95
• TPSA: 44.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	276.38
LogP ≤ 5	0.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol?

The IUPAC name of 3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol (CID 114761254) is 3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol.

What is the SMILES notation for 3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol?

The canonical SMILES for 3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol is Cc1ccc2c(c1)CC(CN(C)CC1(O)CCNC1)O2.

What is the InChIKey of 3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol?

The InChIKey is ZMJDNKNAZUKYQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-12-3-4-15-13(7-12)8-14(20-15)9-18(2)11-16(19)5-6-17-10-16/h3-4,7,14,17,19H,5-6,8-11H2,1-2H3.

What are the key properties of 3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol?

3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol has a molecular weight of 276.38 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[methyl-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]amino]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 114761254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).