4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

C16H15FN2S — CID 64828369

IUPAC4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCc1cc(F)ccc1NC(C)c1cnc2ccsc2c1
InChIInChI=1S/C16H15FN2S/c1-10-7-13(17)3-4-14(10)19-11(2)12-8-16-15(18-9-12)5-6-20-16/h3-9,11,19H,1-2H3
InChIKeyRWBKPXQXUZDMSL-UHFFFAOYSA-N
MW286.38 g/mol
LogP4.92
Rot. Bonds3

About 4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline

4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (PubChem CID 64828369) has the molecular formula C16H15FN2S and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
PubChem CID64828369
Molecular FormulaC16H15FN2S
Molecular Weight286.38 g/mol
Exact Mass286.09
IUPAC Name4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
SMILESCc1cc(F)ccc1NC(C)c1cnc2ccsc2c1
InChIInChI=1S/C16H15FN2S/c1-10-7-13(17)3-4-14(10)19-11(2)12-8-16-15(18-9-12)5-6-20-16/h3-9,11,19H,1-2H3
InChIKeyRWBKPXQXUZDMSL-UHFFFAOYSA-N
XLogP4.92
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64831111
2-fluoro-4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829176
2,5-dimethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829551
2-fluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64829352
4-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64828842
2,5-dibromo-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64830748
4-bromo-2,6-difluoro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 65467163
3-chloro-4-(1-thieno[3,2-b]pyridin-6-ylethylamino)benzonitrile
CID 107807233
4-ethyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 64830727
2-methoxy-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridin-3-amine
CID 64829776
4-N,4-N-dimethyl-3-N-(1-thieno[3,2-b]pyridin-6-ylethyl)pyridine-3,4-diamine
CID 64828589
2,6-dichloro-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline
CID 65467399

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The IUPAC name of 4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline (CID 64828369) is 4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline.
What is the SMILES notation for 4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The canonical SMILES for 4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is Cc1cc(F)ccc1NC(C)c1cnc2ccsc2c1.
What is the InChIKey of 4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
The InChIKey is RWBKPXQXUZDMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2S/c1-10-7-13(17)3-4-14(10)19-11(2)12-8-16-15(18-9-12)5-6-20-16/h3-9,11,19H,1-2H3.
What are the key properties of 4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline?
4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline has a molecular weight of 286.38 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-N-(1-thieno[3,2-b]pyridin-6-ylethyl)aniline is sourced from PubChem (CID 64828369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).