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

C16H22FNO2 — CID 66360703

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

N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine (PubChem CID 66360703) has the molecular formula C16H22FNO2 and a molecular weight of 279.35 g/mol. Its IUPAC name is N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine.

Molecular Properties

• Compound Name: N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
• PubChem CID: 66360703
• Molecular Formula: C16H22FNO2
• Molecular Weight: 279.35 g/mol
• Exact Mass: 279.16
• IUPAC Name: N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine
• SMILES: CCNCC1(CC2Cc3cc(F)ccc3O2)CCOC1
• InChI: InChI=1S/C16H22FNO2/c1-2-18-10-16(5-6-19-11-16)9-14-8-12-7-13(17)3-4-15(12)20-14/h3-4,7,14,18H,2,5-6,8-11H2,1H3
• InChIKey: DDCGSDJBOSZEDZ-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 30.49 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	279.35
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine (CID 66360703) is N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine.

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

The canonical SMILES for N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine is CCNCC1(CC2Cc3cc(F)ccc3O2)CCOC1.

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

The InChIKey is DDCGSDJBOSZEDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FNO2/c1-2-18-10-16(5-6-19-11-16)9-14-8-12-7-13(17)3-4-15(12)20-14/h3-4,7,14,18H,2,5-6,8-11H2,1H3.

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

N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine has a molecular weight of 279.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]oxolan-3-yl]methyl]ethanamine is sourced from PubChem (CID 66360703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).