3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol

C17H27NO3 — CID 106186264

About 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol

3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol (PubChem CID 106186264) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol.

Molecular Properties

• Compound Name: 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol
• PubChem CID: 106186264
• Molecular Formula: C17H27NO3
• Molecular Weight: 293.41 g/mol
• Exact Mass: 293.20
• IUPAC Name: 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol
• SMILES: COc1cc2c(cc1CNC(C)(C)C(C)(C)O)OC(C)C2
• InChI: InChI=1S/C17H27NO3/c1-11-7-12-8-14(20-6)13(9-15(12)21-11)10-18-16(2,3)17(4,5)19/h8-9,11,18-19H,7,10H2,1-6H3
• InChIKey: RBTDXRMUEMHKAK-UHFFFAOYSA-N
• XLogP: 2.66
• TPSA: 50.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	293.41
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol?

The IUPAC name of 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol (CID 106186264) is 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol.

What is the SMILES notation for 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol?

The canonical SMILES for 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol is COc1cc2c(cc1CNC(C)(C)C(C)(C)O)OC(C)C2.

What is the InChIKey of 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol?

The InChIKey is RBTDXRMUEMHKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-11-7-12-8-14(20-6)13(9-15(12)21-11)10-18-16(2,3)17(4,5)19/h8-9,11,18-19H,7,10H2,1-6H3.

What are the key properties of 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol?

3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol has a molecular weight of 293.41 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 106186264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).