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

C15H17BrN2O2S — CID 105036188

IUPAC2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-17-15(9-13-6-5-12(16)10-18-13)11-3-7-14(8-4-11)21(2,19)20/h3-8,10,15,17H,9H2,1-2H3
InChIKeyLQVICDZVQZOBEZ-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.75
Rot. Bonds5

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

2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine (PubChem CID 105036188) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
PubChem CID105036188
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine
SMILESCNC(Cc1ccc(Br)cn1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-17-15(9-13-6-5-12(16)10-18-13)11-3-7-14(8-4-11)21(2,19)20/h3-8,10,15,17H,9H2,1-2H3
InChIKeyLQVICDZVQZOBEZ-UHFFFAOYSA-N
XLogP2.75
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-2-pyridinyl)-1-(3,4-difluorophenyl)-N-methylethanamine
CID 104801261
1,2-bis(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804023
1-(5-bromo-2-pyridinyl)-N-methyl-3-methylsulfonylbutan-2-amine
CID 105036373
1-(5-bromo-2-pyridinyl)-N,3-dimethyl-3-methylsulfonylbutan-2-amine
CID 105036270
2-(5-bromo-2-pyridinyl)-1-(2-ethylphenyl)-N-methylethanamine
CID 105036525
2-(5-bromo-2-pyridinyl)-N-methyl-1-pyridin-2-ylethanamine
CID 113454817
1-(5-bromo-4-methylthiophen-2-yl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036072
1-(4-bromo-2-chlorophenyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 105036045
1-(3-bromo-2-pyridinyl)-2-(5-bromo-2-pyridinyl)-N-methylethanamine
CID 104804039
N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine
CID 63199908
2-[(4-bromophenyl)methyl]-5-methylsulfonylpyridine
CID 511939
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methyl-2-pyridinyl)ethanamine
CID 104802107

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine (CID 105036188) is 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine is CNC(Cc1ccc(Br)cn1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine?
The InChIKey is LQVICDZVQZOBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-17-15(9-13-6-5-12(16)10-18-13)11-3-7-14(8-4-11)21(2,19)20/h3-8,10,15,17H,9H2,1-2H3.
What are the key properties of 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine?
2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine has a molecular weight of 369.28 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-N-methyl-1-(4-methylsulfonylphenyl)ethanamine is sourced from PubChem (CID 105036188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).