1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine

C17H20FNO2 — CID 66364691

About 1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine

1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine (PubChem CID 66364691) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is 1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine.

Molecular Properties

• Compound Name: 1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
• PubChem CID: 66364691
• Molecular Formula: C17H20FNO2
• Molecular Weight: 289.35 g/mol
• Exact Mass: 289.15
• IUPAC Name: 1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine
• SMILES: Cc1cc(C(C)NCC2Cc3cc(F)ccc3O2)c(C)o1
• InChI: InChI=1S/C17H20FNO2/c1-10-6-16(12(3)20-10)11(2)19-9-15-8-13-7-14(18)4-5-17(13)21-15/h4-7,11,15,19H,8-9H2,1-3H3
• InChIKey: GUUAATOOPIFTTQ-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 34.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.35
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?

The IUPAC name of 1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine (CID 66364691) is 1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine.

What is the SMILES notation for 1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?

The canonical SMILES for 1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine is Cc1cc(C(C)NCC2Cc3cc(F)ccc3O2)c(C)o1.

What is the InChIKey of 1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?

The InChIKey is GUUAATOOPIFTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-10-6-16(12(3)20-10)11(2)19-9-15-8-13-7-14(18)4-5-17(13)21-15/h4-7,11,15,19H,8-9H2,1-3H3.

What are the key properties of 1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine?

1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine has a molecular weight of 289.35 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,5-dimethylfuran-3-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]ethanamine is sourced from PubChem (CID 66364691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).