4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline

C17H16FNOS — CID 46947163

IUPAC4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2cc3ccc(OCCF)cc3s2)cc1
InChIInChI=1S/C17H16FNOS/c1-19-14-5-2-12(3-6-14)16-10-13-4-7-15(20-9-8-18)11-17(13)21-16/h2-7,10-11,19H,8-9H2,1H3
InChIKeyJXGSNFYTKMJIEU-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.96
Rot. Bonds5

About 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline

4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline (PubChem CID 46947163) has the molecular formula C17H16FNOS and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline
PubChem CID46947163
Molecular FormulaC17H16FNOS
Molecular Weight301.39 g/mol
Exact Mass301.09
IUPAC Name4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2cc3ccc(OCCF)cc3s2)cc1
InChIInChI=1S/C17H16FNOS/c1-19-14-5-2-12(3-6-14)16-10-13-4-7-15(20-9-8-18)11-17(13)21-16/h2-7,10-11,19H,8-9H2,1H3
InChIKeyJXGSNFYTKMJIEU-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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Related Compounds

4-(5-(4-methoxyphenyl)thiophen-2-yl)-N,N-dimethylbenzenamine
CID 44408841
4-[(E)-2-[2-(4-methoxyphenyl)-1-benzothiophen-3-yl]ethenyl]aniline
CID 25058308
N-(2-fluoroethyl)-4-(5-(4-methoxyphenyl)thiophen-2-yl)benzenamine
CID 44408848
4-[2-[2-(2-methoxyphenyl)-1-benzothiophen-3-yl]ethynyl]-N,N-dimethylaniline
CID 25058325
4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]-N-(2-pyrrolidin-1-ylethyl)aniline
CID 10697417
1-[2-(4-Methoxyphenyl)-1-benzothiophen-3-yl]piperidine
CID 12190200
2-(1-benzothiophen-3-yl)-N-[(4-methoxyphenyl)methyl]aniline
CID 139252446
6-Benzyloxy-2-dimethylaminobenzo[b]thiophene
CID 10612994
N-[(3-fluoro-4-methoxyphenyl)methyl]dibenzothiophen-2-amine
CID 22664042
[3-Fluoro-4-(2-piperidin-1-ylethoxy)benzyl][5-methoxy-2-(6-methoxybenzo[b]thiophen-2-yl)phenyl]amine
CID 23087164
6-(2-Fluoroethoxy)-2-(4-nitrophenyl)-1-benzothiophene
CID 46946964
6-(3-Fluoropropoxy)-2-(4-nitrophenyl)-1-benzothiophene
CID 46946965

Frequently Asked Questions

What is the IUPAC name of 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline?
The IUPAC name of 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline (CID 46947163) is 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline.
What is the SMILES notation for 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline?
The canonical SMILES for 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline is CNc1ccc(-c2cc3ccc(OCCF)cc3s2)cc1.
What is the InChIKey of 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline?
The InChIKey is JXGSNFYTKMJIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNOS/c1-19-14-5-2-12(3-6-14)16-10-13-4-7-15(20-9-8-18)11-17(13)21-16/h2-7,10-11,19H,8-9H2,1H3.
What are the key properties of 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline?
4-[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 4-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N-methylaniline is sourced from PubChem (CID 46947163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).