N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine

C16H18FNO2 — CID 66364684

About N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine (PubChem CID 66364684) has the molecular formula C16H18FNO2 and a molecular weight of 275.32 g/mol. Its IUPAC name is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine.

Molecular Properties

• Compound Name: N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
• PubChem CID: 66364684
• Molecular Formula: C16H18FNO2
• Molecular Weight: 275.32 g/mol
• Exact Mass: 275.13
• IUPAC Name: N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
• SMILES: CC(Cc1ccco1)NCC1Cc2cc(F)ccc2O1
• InChI: InChI=1S/C16H18FNO2/c1-11(7-14-3-2-6-19-14)18-10-15-9-12-8-13(17)4-5-16(12)20-15/h2-6,8,11,15,18H,7,9-10H2,1H3
• InChIKey: SWAQOMYPOQTLEI-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 34.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	275.32
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine (CID 66364684) is N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine.

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

The canonical SMILES for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine is CC(Cc1ccco1)NCC1Cc2cc(F)ccc2O1.

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

The InChIKey is SWAQOMYPOQTLEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO2/c1-11(7-14-3-2-6-19-14)18-10-15-9-12-8-13(17)4-5-16(12)20-15/h2-6,8,11,15,18H,7,9-10H2,1H3.

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

N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine has a molecular weight of 275.32 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 66364684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).