1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine

C12H12Br2N2S — CID 115854900

IUPAC1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
SMILESCNC(c1ccc(C)nc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H12Br2N2S/c1-7-3-4-8(6-16-7)11(15-2)10-5-9(13)12(14)17-10/h3-6,11,15H,1-2H3
InChIKeyXJPNYKFBGWTRBT-UHFFFAOYSA-N
MW376.12 g/mol
LogP4.29
Rot. Bonds3

About 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine

1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine (PubChem CID 115854900) has the molecular formula C12H12Br2N2S and a molecular weight of 376.12 g/mol. Its IUPAC name is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
PubChem CID115854900
Molecular FormulaC12H12Br2N2S
Molecular Weight376.12 g/mol
Exact Mass373.91
IUPAC Name1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
SMILESCNC(c1ccc(C)nc1)c1cc(Br)c(Br)s1
InChIInChI=1S/C12H12Br2N2S/c1-7-3-4-8(6-16-7)11(15-2)10-5-9(13)12(14)17-10/h3-6,11,15H,1-2H3
InChIKeyXJPNYKFBGWTRBT-UHFFFAOYSA-N
XLogP4.29
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.12
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-4-methylthiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854554
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methylphenyl)methanamine
CID 80532880
1-(2,5-dibromothiophen-3-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 107968253
1-(4-tert-butylphenyl)-1-(4,5-dibromothiophen-2-yl)-N-methylmethanamine
CID 80534082
1-(4,5-dibromothiophen-2-yl)-1-(4-ethylphenyl)-N-methylmethanamine
CID 80532956
1-(4,5-dibromothiophen-2-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 80532857
1-(4-bromo-2,6-difluorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 115854935
1-(4,5-dibromothiophen-2-yl)-1-(4-methoxy-3,5-dimethylphenyl)-N-methylmethanamine
CID 83057656
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(1-methylimidazol-2-yl)methanamine
CID 80538939
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 102842851
1-(3,4-dichlorophenyl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine
CID 81492006
1-(4-bromo-5-methylthiophen-2-yl)-1-(4-bromophenyl)-N-methylmethanamine
CID 102827316

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
The IUPAC name of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine (CID 115854900) is 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
The canonical SMILES for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine is CNC(c1ccc(C)nc1)c1cc(Br)c(Br)s1.
What is the InChIKey of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
The InChIKey is XJPNYKFBGWTRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2S/c1-7-3-4-8(6-16-7)11(15-2)10-5-9(13)12(14)17-10/h3-6,11,15H,1-2H3.
What are the key properties of 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine?
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine has a molecular weight of 376.12 g/mol, XLogP of 4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dibromothiophen-2-yl)-N-methyl-1-(6-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 115854900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).