2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine

C13H13Br2NS — CID 63797942

IUPAC2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1sccc1Br
InChIInChI=1S/C13H13Br2NS/c1-16-12(13-11(15)5-6-17-13)8-9-3-2-4-10(14)7-9/h2-7,12,16H,8H2,1H3
InChIKeyUWRJMGRJYXLGLC-UHFFFAOYSA-N
MW375.13 g/mol
LogP4.78
Rot. Bonds4

About 2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine

2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine (PubChem CID 63797942) has the molecular formula C13H13Br2NS and a molecular weight of 375.13 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
PubChem CID63797942
Molecular FormulaC13H13Br2NS
Molecular Weight375.13 g/mol
Exact Mass372.91
IUPAC Name2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
SMILESCNC(Cc1cccc(Br)c1)c1sccc1Br
InChIInChI=1S/C13H13Br2NS/c1-16-12(13-11(15)5-6-17-13)8-9-3-2-4-10(14)7-9/h2-7,12,16H,8H2,1H3
InChIKeyUWRJMGRJYXLGLC-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.13
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromophenyl)-3-(3-bromothiophen-2-yl)-N-methylpropan-2-amine
CID 55095600
1-(2-bromophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 55185666
2-(3-bromophenyl)-1-(3,5-dimethylphenyl)-N-methylethanamine
CID 55185855
2-(3-chlorophenyl)-1-(3-chlorothiophen-2-yl)-N-methylethanamine
CID 80529067
1-(3-bromothiophen-2-yl)-2-(2-chloro-3-fluorophenyl)-N-methylethanamine
CID 105032294
1-(5-bromo-2-fluorophenyl)-2-(3-bromophenyl)-N-methylethanamine
CID 63527945
1-(3-bromothiophen-2-yl)-2-(2-methoxyphenyl)-N-methylethanamine
CID 55239918
N-[1-(3-bromothiophen-2-yl)-2-(3-chlorophenyl)ethyl]propan-1-amine
CID 63796209
2-(3-bromophenyl)-N-ethyl-1-thiophen-2-ylethanamine
CID 60818969
2-(3-bromophenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976015
2-(3-methoxyphenyl)-1-(3-methoxythiophen-2-yl)-N-methylethanamine
CID 81121763
2-(2-bromo-5-methoxyphenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine
CID 115862130

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine (CID 63797942) is 2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine is CNC(Cc1cccc(Br)c1)c1sccc1Br.
What is the InChIKey of 2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine?
The InChIKey is UWRJMGRJYXLGLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2NS/c1-16-12(13-11(15)5-6-17-13)8-9-3-2-4-10(14)7-9/h2-7,12,16H,8H2,1H3.
What are the key properties of 2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine?
2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine has a molecular weight of 375.13 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(3-bromothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 63797942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).