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

C16H18FNOS — CID 106010977

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

N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine (PubChem CID 106010977) has the molecular formula C16H18FNOS and a molecular weight of 291.39 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine.

Molecular Properties

• Compound Name: N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine
• PubChem CID: 106010977
• Molecular Formula: C16H18FNOS
• Molecular Weight: 291.39 g/mol
• Exact Mass: 291.11
• IUPAC Name: N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine
• SMILES: CCc1ccc(CNCC2Cc3cc(F)ccc3O2)s1
• InChI: InChI=1S/C16H18FNOS/c1-2-14-4-5-15(20-14)10-18-9-13-8-11-7-12(17)3-6-16(11)19-13/h3-7,13,18H,2,8-10H2,1H3
• InChIKey: GQPWYISBKDYCLX-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 21.26 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	291.39
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine (CID 106010977) is N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine.

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

The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine is CCc1ccc(CNCC2Cc3cc(F)ccc3O2)s1.

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

The InChIKey is GQPWYISBKDYCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNOS/c1-2-14-4-5-15(20-14)10-18-9-13-8-11-7-12(17)3-6-16(11)19-13/h3-7,13,18H,2,8-10H2,1H3.

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

N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine has a molecular weight of 291.39 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(5-ethylthiophen-2-yl)methyl]-1-(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methanamine is sourced from PubChem (CID 106010977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).