5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine

C17H17FN2OS — CID 59536209

IUPAC5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2cc3ccc(OCCF)cc3s2)cn1
InChIInChI=1S/C17H17FN2OS/c1-20(2)17-6-4-13(11-19-17)15-9-12-3-5-14(21-8-7-18)10-16(12)22-15/h3-6,9-11H,7-8H2,1-2H3
InChIKeyVNAKGQVPJCAHEK-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.38
Rot. Bonds5

About 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine

5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine (PubChem CID 59536209) has the molecular formula C17H17FN2OS and a molecular weight of 316.40 g/mol. Its IUPAC name is 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine
PubChem CID59536209
Molecular FormulaC17H17FN2OS
Molecular Weight316.40 g/mol
Exact Mass316.10
IUPAC Name5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(-c2cc3ccc(OCCF)cc3s2)cn1
InChIInChI=1S/C17H17FN2OS/c1-20(2)17-6-4-13(11-19-17)15-9-12-3-5-14(21-8-7-18)10-16(12)22-15/h3-6,9-11H,7-8H2,1-2H3
InChIKeyVNAKGQVPJCAHEK-UHFFFAOYSA-N
XLogP4.38
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine (CID 59536209) is 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(-c2cc3ccc(OCCF)cc3s2)cn1.
What is the InChIKey of 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine?
The InChIKey is VNAKGQVPJCAHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2OS/c1-20(2)17-6-4-13(11-19-17)15-9-12-3-5-14(21-8-7-18)10-16(12)22-15/h3-6,9-11H,7-8H2,1-2H3.
What are the key properties of 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine?
5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine has a molecular weight of 316.40 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(2-fluoroethoxy)-1-benzothiophen-2-yl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 59536209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).