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

C13H15BrN2S — CID 106755175

IUPAC2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
SMILESCNC(Cc1sccc1Br)c1ccnc(C)c1
InChIInChI=1S/C13H15BrN2S/c1-9-7-10(3-5-16-9)12(15-2)8-13-11(14)4-6-17-13/h3-7,12,15H,8H2,1-2H3
InChIKeyPCBIVTSBQQFYAP-UHFFFAOYSA-N
MW311.25 g/mol
LogP3.72
Rot. Bonds4

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

2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine (PubChem CID 106755175) has the molecular formula C13H15BrN2S and a molecular weight of 311.25 g/mol. Its IUPAC name is 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine.

Molecular Properties

Compound Name2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
PubChem CID106755175
Molecular FormulaC13H15BrN2S
Molecular Weight311.25 g/mol
Exact Mass310.01
IUPAC Name2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
SMILESCNC(Cc1sccc1Br)c1ccnc(C)c1
InChIInChI=1S/C13H15BrN2S/c1-9-7-10(3-5-16-9)12(15-2)8-13-11(14)4-6-17-13/h3-7,12,15H,8H2,1-2H3
InChIKeyPCBIVTSBQQFYAP-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)ethanamine
CID 62600319
2-(3-bromothiophen-2-yl)-1-(3-fluoro-4-methylphenyl)-N-methylethanamine
CID 62601801
2-(3-bromothiophen-2-yl)-N-methyl-1-(5-methylfuran-3-yl)ethanamine
CID 115848811
1-(6-bromonaphthalen-2-yl)-2-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115849229
2-(3-bromothiophen-2-yl)-1-(3,6-dimethylpyridazin-4-yl)-N-methylethanamine
CID 105139467
2-(3-bromothiophen-2-yl)-1-(4-chloro-3-fluorophenyl)-N-methylethanamine
CID 107992805
N-methyl-1-(2-methyl-4-pyridinyl)-2-(1,3-thiazol-5-yl)ethanamine
CID 106755782
N-methyl-1-(2-methyl-4-pyridinyl)-2-pyridin-4-ylethanamine
CID 106755506
N-methyl-1-(2-methyl-4-pyridinyl)-2-(2,4,6-trimethylphenyl)ethanamine
CID 106755047
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methylfuran-3-yl)ethanamine
CID 104790070
2-(3-bromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115848986
2-(1-benzothiophen-3-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755028

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine?
The IUPAC name of 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine (CID 106755175) is 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine.
What is the SMILES notation for 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine?
The canonical SMILES for 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine is CNC(Cc1sccc1Br)c1ccnc(C)c1.
What is the InChIKey of 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine?
The InChIKey is PCBIVTSBQQFYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2S/c1-9-7-10(3-5-16-9)12(15-2)8-13-11(14)4-6-17-13/h3-7,12,15H,8H2,1-2H3.
What are the key properties of 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine?
2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine has a molecular weight of 311.25 g/mol, XLogP of 3.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromothiophen-2-yl)-N-methyl-1-(2-methyl-4-pyridinyl)ethanamine is sourced from PubChem (CID 106755175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).