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

C16H19BrN2S — CID 63786834

IUPAC2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
SMILESCC1c2ccsc2CCN1c1cc(Br)ccc1CCN
InChIInChI=1S/C16H19BrN2S/c1-11-14-6-9-20-16(14)5-8-19(11)15-10-13(17)3-2-12(15)4-7-18/h2-3,6,9-11H,4-5,7-8,18H2,1H3
InChIKeyUDJTZJZNDHNCCX-UHFFFAOYSA-N
MW351.31 g/mol
LogP4.14
Rot. Bonds3

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

2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine (PubChem CID 63786834) has the molecular formula C16H19BrN2S and a molecular weight of 351.31 g/mol. Its IUPAC name is 2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine.

Molecular Properties

Compound Name2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
PubChem CID63786834
Molecular FormulaC16H19BrN2S
Molecular Weight351.31 g/mol
Exact Mass350.05
IUPAC Name2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine
SMILESCC1c2ccsc2CCN1c1cc(Br)ccc1CCN
InChIInChI=1S/C16H19BrN2S/c1-11-14-6-9-20-16(14)5-8-19(11)15-10-13(17)3-2-12(15)4-7-18/h2-3,6,9-11H,4-5,7-8,18H2,1H3
InChIKeyUDJTZJZNDHNCCX-UHFFFAOYSA-N
XLogP4.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.31
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine?
The IUPAC name of 2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine (CID 63786834) is 2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine.
What is the SMILES notation for 2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine?
The canonical SMILES for 2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine is CC1c2ccsc2CCN1c1cc(Br)ccc1CCN.
What is the InChIKey of 2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine?
The InChIKey is UDJTZJZNDHNCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2S/c1-11-14-6-9-20-16(14)5-8-19(11)15-10-13(17)3-2-12(15)4-7-18/h2-3,6,9-11H,4-5,7-8,18H2,1H3.
What are the key properties of 2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine?
2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine has a molecular weight of 351.31 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-2-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)phenyl]ethanamine is sourced from PubChem (CID 63786834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).