[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine

C16H23FN2O2 — CID 114782567

About [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine

[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine (PubChem CID 114782567) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine.

Molecular Properties

• Compound Name: [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine
• PubChem CID: 114782567
• Molecular Formula: C16H23FN2O2
• Molecular Weight: 294.37 g/mol
• Exact Mass: 294.17
• IUPAC Name: [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine
• SMILES: CC1(C)CN(CC2Cc3cc(F)ccc3O2)CC(CN)O1
• InChI: InChI=1S/C16H23FN2O2/c1-16(2)10-19(9-14(7-18)21-16)8-13-6-11-5-12(17)3-4-15(11)20-13/h3-5,13-14H,6-10,18H2,1-2H3
• InChIKey: QRLUPZJFLLTCQV-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 47.72 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	294.37
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine?

The IUPAC name of [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine (CID 114782567) is [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine.

What is the SMILES notation for [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine?

The canonical SMILES for [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine is CC1(C)CN(CC2Cc3cc(F)ccc3O2)CC(CN)O1.

What is the InChIKey of [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine?

The InChIKey is QRLUPZJFLLTCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c1-16(2)10-19(9-14(7-18)21-16)8-13-6-11-5-12(17)3-4-15(11)20-13/h3-5,13-14H,6-10,18H2,1-2H3.

What are the key properties of [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine?

[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine has a molecular weight of 294.37 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-6,6-dimethylmorpholin-2-yl]methanamine is sourced from PubChem (CID 114782567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).