1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine

C11H12BrNS — CID 117196817

IUPAC1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2cccc(Br)c2s1
InChIInChI=1S/C11H12BrNS/c1-7(13-2)10-6-8-4-3-5-9(12)11(8)14-10/h3-7,13H,1-2H3
InChIKeyDTEBTABSZSSJJS-UHFFFAOYSA-N
MW270.19 g/mol
LogP3.94
Rot. Bonds2

About 1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine

1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine (PubChem CID 117196817) has the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol. Its IUPAC name is 1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine.

Molecular Properties

Compound Name1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine
PubChem CID117196817
Molecular FormulaC11H12BrNS
Molecular Weight270.19 g/mol
Exact Mass268.99
IUPAC Name1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine
SMILESCNC(C)c1cc2cccc(Br)c2s1
InChIInChI=1S/C11H12BrNS/c1-7(13-2)10-6-8-4-3-5-9(12)11(8)14-10/h3-7,13H,1-2H3
InChIKeyDTEBTABSZSSJJS-UHFFFAOYSA-N
XLogP3.94
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-bromo-5-chlorothiophen-2-yl)-N-methylethanamine
CID 102828282
2-[1-(methylamino)ethyl]-1-benzothiophen-5-ol
CID 117195329
(1R)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(2-bromophenyl)ethanamine
CID 104982881
2,7-di(propan-2-yl)-1-benzothiophene
CID 176624114
N-methyl-1-(6-methyl-1-benzothiophen-2-yl)ethanamine
CID 117195817
3,6-bis(2-propan-2-yl-1-benzothiophen-7-yl)-1,2,4,5-tetrazine
CID 153468237
(7-bromo-1-benzothiophen-2-yl)methanol
CID 53396438
(1S)-1-(2-bromophenyl)-N-methylethanamine
CID 30122083
1-(6-methoxy-1-benzothiophen-2-yl)-N-methylethanamine
CID 117196028
1-(7-fluoro-1-benzothiophen-2-yl)ethanamine
CID 55268595
(1S)-1-(4-bromothiophen-2-yl)-N-methylethanamine
CID 95366093
(1S)-N-[1-(1-benzothiophen-2-yl)ethyl]-1-(3-bromophenyl)ethanamine
CID 104982875

Frequently Asked Questions

What is the IUPAC name of 1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine?
The IUPAC name of 1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine (CID 117196817) is 1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine.
What is the SMILES notation for 1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine?
The canonical SMILES for 1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine is CNC(C)c1cc2cccc(Br)c2s1.
What is the InChIKey of 1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine?
The InChIKey is DTEBTABSZSSJJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c1-7(13-2)10-6-8-4-3-5-9(12)11(8)14-10/h3-7,13H,1-2H3.
What are the key properties of 1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine?
1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine has a molecular weight of 270.19 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bromo-1-benzothiophen-2-yl)-N-methylethanamine is sourced from PubChem (CID 117196817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).