N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine

C17H17FN2S — CID 81153116

IUPACN-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccsc2c1)c1cc(F)ccc1C
InChIInChI=1S/C17H17FN2S/c1-3-19-17(14-9-13(18)5-4-11(14)2)12-8-16-15(20-10-12)6-7-21-16/h4-10,17,19H,3H2,1-2H3
InChIKeyWQHCJIWSWSJUQS-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.44
Rot. Bonds4

About N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine

N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine (PubChem CID 81153116) has the molecular formula C17H17FN2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
PubChem CID81153116
Molecular FormulaC17H17FN2S
Molecular Weight300.40 g/mol
Exact Mass300.11
IUPAC NameN-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccsc2c1)c1cc(F)ccc1C
InChIInChI=1S/C17H17FN2S/c1-3-19-17(14-9-13(18)5-4-11(14)2)12-8-16-15(20-10-12)6-7-21-16/h4-10,17,19H,3H2,1-2H3
InChIKeyWQHCJIWSWSJUQS-UHFFFAOYSA-N
XLogP4.44
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329361
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
7-Fluoro-3-thiophen-3-yl-quinoline
CID 10398928
5-Fluoro-3-thiophen-3-yl-quinoline
CID 10421346
(-)-(R)-2-(3-(1-(5-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 11493620
(-)-(R)-N-methyl-2-(3-(1-(pyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)ethanamine
CID 46884062
(-)-(R)-2-(3-(1-(3-fluoropyridin-2-yl)ethyl)benzo[b]thiophen-2-yl)-N,N-dimethylethanamine
CID 46884152
(NZ)-N-[5-(thieno[2,3-c]pyridin-3-ylamino)-2,3-dihydroinden-1-ylidene]hydroxylamine
CID 53325802
US11168093, Example 75a
CID 148238722
US11168093, Example 1
CID 149559960
5-fluoro-3-[3-[4-(4-fluoro-2-thiophen-2-ylphenyl)piperazin-1-yl]propyl]-1H-indole
CID 155526720

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The IUPAC name of N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine (CID 81153116) is N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine.
What is the SMILES notation for N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The canonical SMILES for N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine is CCNC(c1cnc2ccsc2c1)c1cc(F)ccc1C.
What is the InChIKey of N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The InChIKey is WQHCJIWSWSJUQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S/c1-3-19-17(14-9-13(18)5-4-11(14)2)12-8-16-15(20-10-12)6-7-21-16/h4-10,17,19H,3H2,1-2H3.
What are the key properties of N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine has a molecular weight of 300.40 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine is sourced from PubChem (CID 81153116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).