2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline

C17H16FNOS — CID 46947354

IUPAC2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline
SMILESCNc1ccccc1-c1cc2ccc(OCCF)cc2s1
InChIInChI=1S/C17H16FNOS/c1-19-15-5-3-2-4-14(15)17-10-12-6-7-13(20-9-8-18)11-16(12)21-17/h2-7,10-11,19H,8-9H2,1H3
InChIKeyXTOHGBXCMGCDHC-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.96
Rot. Bonds5

About 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline

2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline (PubChem CID 46947354) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline.

Molecular Properties

Compound Name2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline
PubChem CID46947354
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline
SMILESCNc1ccccc1-c1cc2ccc(OCCF)cc2s1
InChIInChI=1S/C17H16FNOS/c1-19-15-5-3-2-4-14(15)17-10-12-6-7-13(20-9-8-18)11-16(12)21-17/h2-7,10-11,19H,8-9H2,1H3
InChIKeyXTOHGBXCMGCDHC-UHFFFAOYSA-N
XLogP4.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline?
The IUPAC name of 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline (CID 46947354) is 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline.
What is the SMILES notation for 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline?
The canonical SMILES for 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline is CNc1ccccc1-c1cc2ccc(OCCF)cc2s1.
What is the InChIKey of 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline?
The InChIKey is XTOHGBXCMGCDHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-19-15-5-3-2-4-14(15)17-10-12-6-7-13(20-9-8-18)11-16(12)21-17/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline?
2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline has a molecular weight of 301.39 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline is sourced from PubChem (CID 46947354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).