2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine

C15H17BrN2S — CID 105036943

IUPAC2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
SMILESCNC(Cc1cncc(Br)c1)c1ccc(SC)cc1
InChIInChI=1S/C15H17BrN2S/c1-17-15(8-11-7-13(16)10-18-9-11)12-3-5-14(19-2)6-4-12/h3-7,9-10,15,17H,8H2,1-2H3
InChIKeyABPRQYWWKQRHNR-UHFFFAOYSA-N
MW337.29 g/mol
LogP4.07
Rot. Bonds5

About 2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine

2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine (PubChem CID 105036943) has the molecular formula C15H17BrN2S and a molecular weight of 337.29 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
PubChem CID105036943
Molecular FormulaC15H17BrN2S
Molecular Weight337.29 g/mol
Exact Mass336.03
IUPAC Name2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
SMILESCNC(Cc1cncc(Br)c1)c1ccc(SC)cc1
InChIInChI=1S/C15H17BrN2S/c1-17-15(8-11-7-13(16)10-18-9-11)12-3-5-14(19-2)6-4-12/h3-7,9-10,15,17H,8H2,1-2H3
InChIKeyABPRQYWWKQRHNR-UHFFFAOYSA-N
XLogP4.07
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.29
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(5-bromo-3-pyridinyl)-1-(4-methylsulfanylphenyl)ethyl]hydrazine
CID 105334802
2-(5-bromo-3-pyridinyl)-1-(4-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 105036812
2-(5-bromo-3-pyridinyl)-1-(2,3-dihydro-1H-inden-5-yl)-N-methylethanamine
CID 105036828
2-(5-bromo-3-pyridinyl)-1-(2,4-dibromophenyl)-N-methylethanamine
CID 107946725
N-[2-(5-bromo-3-pyridinyl)-1-(4-chlorophenyl)ethyl]propan-1-amine
CID 104801058
2-(5-bromo-3-pyridinyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104803789
2-(5-bromo-3-pyridinyl)-N-ethyl-1-(4-iodophenyl)ethanamine
CID 105036667
2-(5-bromo-3-pyridinyl)-1-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105036553
2-(5-bromo-3-pyridinyl)-N-ethyl-1-pyridin-4-ylethanamine
CID 104801242
3-(5-bromo-3-pyridinyl)-N-methyl-1-phenylpropan-1-amine
CID 104799839
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 113454942
3-(5-bromo-3-pyridinyl)-2-(4-fluorophenyl)-N-methylpropan-1-amine
CID 104810803

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine (CID 105036943) is 2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine is CNC(Cc1cncc(Br)c1)c1ccc(SC)cc1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine?
The InChIKey is ABPRQYWWKQRHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2S/c1-17-15(8-11-7-13(16)10-18-9-11)12-3-5-14(19-2)6-4-12/h3-7,9-10,15,17H,8H2,1-2H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine?
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine has a molecular weight of 337.29 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine is sourced from PubChem (CID 105036943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).