2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine

C19H31NO — CID 83150962

About 2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine

2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine (PubChem CID 83150962) has the molecular formula C19H31NO and a molecular weight of 289.46 g/mol. Its IUPAC name is 2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine.

Molecular Properties

• Compound Name: 2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine
• PubChem CID: 83150962
• Molecular Formula: C19H31NO
• Molecular Weight: 289.46 g/mol
• Exact Mass: 289.24
• IUPAC Name: 2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine
• SMILES: Cc1ccc2c(c1)CC(CC(C)(CNC(C)C)C(C)C)O2
• InChI: InChI=1S/C19H31NO/c1-13(2)19(6,12-20-14(3)4)11-17-10-16-9-15(5)7-8-18(16)21-17/h7-9,13-14,17,20H,10-12H2,1-6H3
• InChIKey: HYJCIMDNGUIPMW-UHFFFAOYSA-N
• XLogP: 4.35
• TPSA: 21.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 6
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.46
LogP ≤ 5	4.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine?

The IUPAC name of 2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine (CID 83150962) is 2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine.

What is the SMILES notation for 2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine?

The canonical SMILES for 2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine is Cc1ccc2c(c1)CC(CC(C)(CNC(C)C)C(C)C)O2.

What is the InChIKey of 2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine?

The InChIKey is HYJCIMDNGUIPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31NO/c1-13(2)19(6,12-20-14(3)4)11-17-10-16-9-15(5)7-8-18(16)21-17/h7-9,13-14,17,20H,10-12H2,1-6H3.

What are the key properties of 2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine?

2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine has a molecular weight of 289.46 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dimethyl-2-[(5-methyl-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 83150962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).