4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol

C18H27NO3 — CID 110878800

About 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol

4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol (PubChem CID 110878800) has the molecular formula C18H27NO3 and a molecular weight of 305.42 g/mol. Its IUPAC name is 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol
• PubChem CID: 110878800
• Molecular Formula: C18H27NO3
• Molecular Weight: 305.42 g/mol
• Exact Mass: 305.20
• IUPAC Name: 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol
• SMILES: CCOc1cc2c(cc1CNC1CCC(O)CC1)OC(C)C2
• InChI: InChI=1S/C18H27NO3/c1-3-21-17-9-13-8-12(2)22-18(13)10-14(17)11-19-15-4-6-16(20)7-5-15/h9-10,12,15-16,19-20H,3-8,11H2,1-2H3
• InChIKey: DLOVSFCPOBFLCC-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 50.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	305.42
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol?

The IUPAC name of 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol (CID 110878800) is 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol.

What is the SMILES notation for 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol?

The canonical SMILES for 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol is CCOc1cc2c(cc1CNC1CCC(O)CC1)OC(C)C2.

What is the InChIKey of 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol?

The InChIKey is DLOVSFCPOBFLCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO3/c1-3-21-17-9-13-8-12(2)22-18(13)10-14(17)11-19-15-4-6-16(20)7-5-15/h9-10,12,15-16,19-20H,3-8,11H2,1-2H3.

What are the key properties of 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol?

4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol has a molecular weight of 305.42 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 110878800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).