2-(2-hydroxyethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile

C14H18N2O3 — CID 115349853

About 2-(2-hydroxyethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile

2-(2-hydroxyethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile (PubChem CID 115349853) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile.

Molecular Properties

• Compound Name: 2-(2-hydroxyethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile
• PubChem CID: 115349853
• Molecular Formula: C14H18N2O3
• Molecular Weight: 262.31 g/mol
• Exact Mass: 262.13
• IUPAC Name: 2-(2-hydroxyethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile
• SMILES: COc1cc2c(cc1C(C#N)NCCO)OC(C)C2
• InChI: InChI=1S/C14H18N2O3/c1-9-5-10-6-14(18-2)11(7-13(10)19-9)12(8-15)16-3-4-17/h6-7,9,12,16-17H,3-5H2,1-2H3
• InChIKey: MNJGODRJJKAENB-UHFFFAOYSA-N
• XLogP: 1.17
• TPSA: 74.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	262.31
LogP ≤ 5	1.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-(2-hydroxyethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile (CID 115349853) is 2-(2-hydroxyethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile.

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

The canonical SMILES for 2-(2-hydroxyethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile is COc1cc2c(cc1C(C#N)NCCO)OC(C)C2.

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

The InChIKey is MNJGODRJJKAENB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-5-10-6-14(18-2)11(7-13(10)19-9)12(8-15)16-3-4-17/h6-7,9,12,16-17H,3-5H2,1-2H3.

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

2-(2-hydroxyethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile has a molecular weight of 262.31 g/mol, XLogP of 1.17, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-hydroxyethylamino)-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)acetonitrile is sourced from PubChem (CID 115349853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).