1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine

C17H18FNOS — CID 107695426

IUPAC1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1OCC1CSc2ccccc21
InChIInChI=1S/C17H18FNOS/c1-19-9-12-8-14(18)6-7-16(12)20-10-13-11-21-17-5-3-2-4-15(13)17/h2-8,13,19H,9-11H2,1H3
InChIKeyLWYXGCBRXCUDIX-UHFFFAOYSA-N
MW303.40 g/mol
LogP3.81
Rot. Bonds5

About 1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine

1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine (PubChem CID 107695426) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine
PubChem CID107695426
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine
SMILESCNCc1cc(F)ccc1OCC1CSc2ccccc21
InChIInChI=1S/C17H18FNOS/c1-19-9-12-8-14(18)6-7-16(12)20-10-13-11-21-17-5-3-2-4-15(13)17/h2-8,13,19H,9-11H2,1H3
InChIKeyLWYXGCBRXCUDIX-UHFFFAOYSA-N
XLogP3.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine (CID 107695426) is 1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine is CNCc1cc(F)ccc1OCC1CSc2ccccc21.
What is the InChIKey of 1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine?
The InChIKey is LWYXGCBRXCUDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-19-9-12-8-14(18)6-7-16(12)20-10-13-11-21-17-5-3-2-4-15(13)17/h2-8,13,19H,9-11H2,1H3.
What are the key properties of 1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine?
1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine has a molecular weight of 303.40 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dihydro-1-benzothiophen-3-ylmethoxy)-5-fluorophenyl]-N-methylmethanamine is sourced from PubChem (CID 107695426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).