2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol

C16H25NO3 — CID 115350167

About 2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol

2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol (PubChem CID 115350167) has the molecular formula C16H25NO3 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol.

Molecular Properties

• Compound Name: 2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol
• PubChem CID: 115350167
• Molecular Formula: C16H25NO3
• Molecular Weight: 279.38 g/mol
• Exact Mass: 279.18
• IUPAC Name: 2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol
• SMILES: CCC(C)(CN)C(O)c1cc2c(cc1OC)CC(C)O2
• InChI: InChI=1S/C16H25NO3/c1-5-16(3,9-17)15(18)12-8-13-11(6-10(2)20-13)7-14(12)19-4/h7-8,10,15,18H,5-6,9,17H2,1-4H3
• InChIKey: HAHOEQRNQQAJBW-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 64.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	279.38
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol?

The IUPAC name of 2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol (CID 115350167) is 2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol.

What is the SMILES notation for 2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol?

The canonical SMILES for 2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol is CCC(C)(CN)C(O)c1cc2c(cc1OC)CC(C)O2.

What is the InChIKey of 2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol?

The InChIKey is HAHOEQRNQQAJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3/c1-5-16(3,9-17)15(18)12-8-13-11(6-10(2)20-13)7-14(12)19-4/h7-8,10,15,18H,5-6,9,17H2,1-4H3.

What are the key properties of 2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol?

2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol has a molecular weight of 279.38 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(aminomethyl)-1-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-2-methylbutan-1-ol is sourced from PubChem (CID 115350167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).