(1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine

C17H21NO2S — CID 115349722

About (1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine

(1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine (PubChem CID 115349722) has the molecular formula C17H21NO2S and a molecular weight of 303.43 g/mol. Its IUPAC name is (1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine.

Molecular Properties

• Compound Name: (1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine
• PubChem CID: 115349722
• Molecular Formula: C17H21NO2S
• Molecular Weight: 303.43 g/mol
• Exact Mass: 303.13
• IUPAC Name: (1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine
• SMILES: COc1cc2c(cc1CN[C@H](C)c1cccs1)OC(C)C2
• InChI: InChI=1S/C17H21NO2S/c1-11-7-13-8-15(19-3)14(9-16(13)20-11)10-18-12(2)17-5-4-6-21-17/h4-6,8-9,11-12,18H,7,10H2,1-3H3/t11?,12-/m1/s1
• InChIKey: LBQSOOUSJFQRQS-PIJUOVFKSA-N
• XLogP: 3.93
• TPSA: 30.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.43
LogP ≤ 5	3.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine?

The IUPAC name of (1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine (CID 115349722) is (1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine.

What is the SMILES notation for (1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine?

The canonical SMILES for (1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine is COc1cc2c(cc1CN[C@H](C)c1cccs1)OC(C)C2.

What is the InChIKey of (1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine?

The InChIKey is LBQSOOUSJFQRQS-PIJUOVFKSA-N. The full InChI is InChI=1S/C17H21NO2S/c1-11-7-13-8-15(19-3)14(9-16(13)20-11)10-18-12(2)17-5-4-6-21-17/h4-6,8-9,11-12,18H,7,10H2,1-3H3/t11?,12-/m1/s1.

What are the key properties of (1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine?

(1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine has a molecular weight of 303.43 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-N-[(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]-1-thiophen-2-ylethanamine is sourced from PubChem (CID 115349722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).