2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine

C12H13BrN2S — CID 105134853

IUPAC2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Br)s2)cn1
InChIInChI=1S/C12H13BrN2S/c1-8-2-3-9(7-15-8)11(14)6-10-4-5-12(13)16-10/h2-5,7,11H,6,14H2,1H3
InChIKeyLAWZHFCMNMRGSY-UHFFFAOYSA-N
MW297.22 g/mol
LogP3.46
Rot. Bonds3

About 2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine

2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine (PubChem CID 105134853) has the molecular formula C12H13BrN2S and a molecular weight of 297.22 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine
PubChem CID105134853
Molecular FormulaC12H13BrN2S
Molecular Weight297.22 g/mol
Exact Mass296.00
IUPAC Name2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine
SMILESCc1ccc(C(N)Cc2ccc(Br)s2)cn1
InChIInChI=1S/C12H13BrN2S/c1-8-2-3-9(7-15-8)11(14)6-10-4-5-12(13)16-10/h2-5,7,11H,6,14H2,1H3
InChIKeyLAWZHFCMNMRGSY-UHFFFAOYSA-N
XLogP3.46
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.22
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-1-(4-methylphenyl)ethanamine
CID 62607190
2-(5-bromothiophen-2-yl)-1-(4-chlorophenyl)ethanamine
CID 62607913
2-(5-bromothiophen-2-yl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 114877921
2-(5-bromothiophen-2-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530366
2-(2-fluorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155968
2-(2-chlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 55166211
1-(4-bromo-3-fluorophenyl)-2-(5-bromothiophen-2-yl)ethanamine
CID 115841293
2-(2,6-dichlorophenyl)-1-(6-methyl-3-pyridinyl)ethanamine
CID 63155828
2-(5-bromothiophen-2-yl)-1-(3-chloro-4-fluorophenyl)ethanamine
CID 55180820
(2S)-2-amino-2-(6-methyl-3-pyridinyl)ethanol;dihydrochloride
CID 67034159
1-(5-bromothiophen-2-yl)butan-2-amine
CID 43565983
2-(5-bromothiophen-2-yl)-1-(2-methylquinolin-4-yl)ethanamine
CID 105134705

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine?
The IUPAC name of 2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine (CID 105134853) is 2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine is Cc1ccc(C(N)Cc2ccc(Br)s2)cn1.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine?
The InChIKey is LAWZHFCMNMRGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2S/c1-8-2-3-9(7-15-8)11(14)6-10-4-5-12(13)16-10/h2-5,7,11H,6,14H2,1H3.
What are the key properties of 2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine?
2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine has a molecular weight of 297.22 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-1-(6-methyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 105134853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).