1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine

C13H15BrN2S — CID 114699190

IUPAC1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
SMILESCc1cnccc1CNC(C)c1ccc(Br)s1
InChIInChI=1S/C13H15BrN2S/c1-9-7-15-6-5-11(9)8-16-10(2)12-3-4-13(14)17-12/h3-7,10,16H,8H2,1-2H3
InChIKeyBOIMPJJKEQBNGJ-UHFFFAOYSA-N
MW311.25 g/mol
LogP4.06
Rot. Bonds4

About 1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine

1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine (PubChem CID 114699190) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
PubChem CID114699190
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
SMILESCc1cnccc1CNC(C)c1ccc(Br)s1
InChIInChI=1S/C13H15BrN2S/c1-9-7-15-6-5-11(9)8-16-10(2)12-3-4-13(14)17-12/h3-7,10,16H,8H2,1-2H3
InChIKeyBOIMPJJKEQBNGJ-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.25
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine with MolForge

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Related Compounds

N-[(3-methyl-4-pyridinyl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 114699302
N-[(3-methyl-4-pyridinyl)methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 114699058
5-[1-[(3-methyl-4-pyridinyl)methylamino]ethyl]benzene-1,3-diol
CID 107707313
1-(5-bromothiophen-2-yl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62846814
5-bromo-N-[(3-methyl-4-pyridinyl)methyl]thiophene-2-carboxamide
CID 114700584
1-(2-chlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine
CID 114698542
1-(5-bromothiophen-2-yl)-N-[2-(2-methylphenyl)ethyl]ethanamine
CID 79763036
1-(5-bromothiophen-2-yl)-N-[(2,5-difluorophenyl)methyl]ethanamine
CID 63794981
N-[(4-methyl-3-pyridinyl)methyl]-1-(1,3-thiazol-5-yl)ethanamine
CID 114955153
1-methoxy-3-methyl-N-[(3-methyl-4-pyridinyl)methyl]butan-2-amine
CID 114698943
1-ethoxy-N-[(3-methyl-4-pyridinyl)methyl]propan-2-amine
CID 114698935
(2S)-4-[[(1R)-1-(5-bromothiophen-2-yl)ethyl]amino]butan-2-ol
CID 96784282

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
The IUPAC name of 1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine (CID 114699190) is 1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine.
What is the SMILES notation for 1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
The canonical SMILES for 1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine is Cc1cnccc1CNC(C)c1ccc(Br)s1.
What is the InChIKey of 1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
The InChIKey is BOIMPJJKEQBNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9-7-15-6-5-11(9)8-16-10(2)12-3-4-13(14)17-12/h3-7,10,16H,8H2,1-2H3.
What are the key properties of 1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine?
1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine has a molecular weight of 311.25 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromothiophen-2-yl)-N-[(3-methyl-4-pyridinyl)methyl]ethanamine is sourced from PubChem (CID 114699190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).