[2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine

C15H17FN2S — CID 79517021

IUPAC[2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine
SMILESCC1c2ccsc2CCN1c1cccc(F)c1CN
InChIInChI=1S/C15H17FN2S/c1-10-11-6-8-19-15(11)5-7-18(10)14-4-2-3-13(16)12(14)9-17/h2-4,6,8,10H,5,7,9,17H2,1H3
InChIKeyOWRNDTOOWPAZCH-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.47
Rot. Bonds2

About [2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine

[2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine (PubChem CID 79517021) has the molecular formula C15H17FN2S and a molecular weight of 276.38 g/mol. Its IUPAC name is [2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine
PubChem CID79517021
Molecular FormulaC15H17FN2S
Molecular Weight276.38 g/mol
Exact Mass276.11
IUPAC Name[2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine
SMILESCC1c2ccsc2CCN1c1cccc(F)c1CN
InChIInChI=1S/C15H17FN2S/c1-10-11-6-8-19-15(11)5-7-18(10)14-4-2-3-13(16)12(14)9-17/h2-4,6,8,10H,5,7,9,17H2,1H3
InChIKeyOWRNDTOOWPAZCH-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine?
The IUPAC name of [2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine (CID 79517021) is [2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine.
What is the SMILES notation for [2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine?
The canonical SMILES for [2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine is CC1c2ccsc2CCN1c1cccc(F)c1CN.
What is the InChIKey of [2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine?
The InChIKey is OWRNDTOOWPAZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2S/c1-10-11-6-8-19-15(11)5-7-18(10)14-4-2-3-13(16)12(14)9-17/h2-4,6,8,10H,5,7,9,17H2,1H3.
What are the key properties of [2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine?
[2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine has a molecular weight of 276.38 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-6-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]methanamine is sourced from PubChem (CID 79517021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).