3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine

C14H19FN2O — CID 66362444

About 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine

3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine (PubChem CID 66362444) has the molecular formula C14H19FN2O and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine.

Molecular Properties

• Compound Name: 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
• PubChem CID: 66362444
• Molecular Formula: C14H19FN2O
• Molecular Weight: 250.32 g/mol
• Exact Mass: 250.15
• IUPAC Name: 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
• SMILES: CCC1(N)CN(CC2Cc3cc(F)ccc3O2)C1
• InChI: InChI=1S/C14H19FN2O/c1-2-14(16)8-17(9-14)7-12-6-10-5-11(15)3-4-13(10)18-12/h3-5,12H,2,6-9,16H2,1H3
• InChIKey: OHPKZBAUVXWVRD-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 38.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	250.32
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine (CID 66362444) is 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine.

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

The canonical SMILES for 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine is CCC1(N)CN(CC2Cc3cc(F)ccc3O2)C1.

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

The InChIKey is OHPKZBAUVXWVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O/c1-2-14(16)8-17(9-14)7-12-6-10-5-11(15)3-4-13(10)18-12/h3-5,12H,2,6-9,16H2,1H3.

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

3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine has a molecular weight of 250.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine is sourced from PubChem (CID 66362444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).