1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine

C12H11Br2NS — CID 79595205

IUPAC1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1)c1cscc1Br
InChIInChI=1S/C12H11Br2NS/c1-15-12(10-6-16-7-11(10)14)8-3-2-4-9(13)5-8/h2-7,12,15H,1H3
InChIKeySSQQMXNWSQDTMA-UHFFFAOYSA-N
MW361.10 g/mol
LogP4.58
Rot. Bonds3

About 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine

1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine (PubChem CID 79595205) has the molecular formula C12H11Br2NS and a molecular weight of 361.10 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
PubChem CID79595205
Molecular FormulaC12H11Br2NS
Molecular Weight361.10 g/mol
Exact Mass358.90
IUPAC Name1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
SMILESCNC(c1cccc(Br)c1)c1cscc1Br
InChIInChI=1S/C12H11Br2NS/c1-15-12(10-6-16-7-11(10)14)8-3-2-4-9(13)5-8/h2-7,12,15H,1H3
InChIKeySSQQMXNWSQDTMA-UHFFFAOYSA-N
XLogP4.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.10
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromothiophen-3-yl)-1-(3,5-dichlorophenyl)-N-methylmethanamine
CID 105010884
1-(3-bromophenyl)-N-methyl-1-(2-methylphenyl)methanamine
CID 60819031
1-(4-bromothiophen-3-yl)-1-(1,3-dihydro-2-benzofuran-5-yl)-N-methylmethanamine
CID 105010610
1-(4-bromothiophen-3-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 105010417
1-(3-bromo-2-fluorophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
CID 107953374
1-(3-bromophenyl)-N-methyl-1-pyrimidin-5-ylmethanamine
CID 62491207
1-(4-bromothiophen-3-yl)-N-methyl-1-(3,4,5-trimethoxyphenyl)methanamine
CID 105010857
1-(3-bromophenyl)-1-(3,5-difluorophenyl)-N-methylmethanamine
CID 55115762
1-(3-bromophenyl)-N-methyl-1-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 61332500
1-(4-bromothiophen-3-yl)-N-methyl-1-thieno[3,2-b]pyridin-6-ylmethanamine
CID 81143794
1-(3-bromophenyl)-1-(3,4-dichlorophenyl)-N-methylmethanamine
CID 43486480
1-(3-bromophenyl)-1-(4-fluoro-3,5-dimethylphenyl)-N-methylmethanamine
CID 65299050

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine (CID 79595205) is 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine is CNC(c1cccc(Br)c1)c1cscc1Br.
What is the InChIKey of 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine?
The InChIKey is SSQQMXNWSQDTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NS/c1-15-12(10-6-16-7-11(10)14)8-3-2-4-9(13)5-8/h2-7,12,15H,1H3.
What are the key properties of 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine?
1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine has a molecular weight of 361.10 g/mol, XLogP of 4.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine is sourced from PubChem (CID 79595205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).