N-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine

C17H17FN2S — CID 81153328

IUPACN-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccsc2c1)c1ccc(F)cc1C
InChIInChI=1S/C17H17FN2S/c1-3-19-17(14-5-4-13(18)8-11(14)2)12-9-16-15(20-10-12)6-7-21-16/h4-10,17,19H,3H2,1-2H3
InChIKeyLNDBUYQKNKQSIT-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.44
Rot. Bonds4

About N-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine

N-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine (PubChem CID 81153328) has the molecular formula C17H17FN2S and a molecular weight of 300.40 g/mol. Its IUPAC name is N-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
PubChem CID81153328
Molecular FormulaC17H17FN2S
Molecular Weight300.40 g/mol
Exact Mass300.11
IUPAC NameN-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine
SMILESCCNC(c1cnc2ccsc2c1)c1ccc(F)cc1C
InChIInChI=1S/C17H17FN2S/c1-3-19-17(14-5-4-13(18)8-11(14)2)12-9-16-15(20-10-12)6-7-21-16/h4-10,17,19H,3H2,1-2H3
InChIKeyLNDBUYQKNKQSIT-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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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The IUPAC name of N-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine (CID 81153328) is N-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine.
What is the SMILES notation for N-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The canonical SMILES for N-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine is CCNC(c1cnc2ccsc2c1)c1ccc(F)cc1C.
What is the InChIKey of N-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
The InChIKey is LNDBUYQKNKQSIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN2S/c1-3-19-17(14-5-4-13(18)8-11(14)2)12-9-16-15(20-10-12)6-7-21-16/h4-10,17,19H,3H2,1-2H3.
What are the key properties of N-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine?
N-[(4-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-[(4-fluoro-2-methylphenyl)-thieno[3,2-b]pyridin-6-ylmethyl]ethanamine is sourced from PubChem (CID 81153328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).