5-bromo-N-methyl-1-benzothiophen-2-amine

C9H8BrNS — CID 172722312

IUPAC5-bromo-N-methyl-1-benzothiophen-2-amine
SMILESCNc1cc2cc(Br)ccc2s1
InChIInChI=1S/C9H8BrNS/c1-11-9-5-6-4-7(10)2-3-8(6)12-9/h2-5,11H,1H3
InChIKeyGRJINVJZDLWTJZ-UHFFFAOYSA-N
MW242.14 g/mol
LogP3.71
Rot. Bonds1

About 5-bromo-N-methyl-1-benzothiophen-2-amine

5-bromo-N-methyl-1-benzothiophen-2-amine (PubChem CID 172722312) has the molecular formula C9H8BrNS and a molecular weight of 242.14 g/mol. Its IUPAC name is 5-bromo-N-methyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-1-benzothiophen-2-amine
PubChem CID172722312
Molecular FormulaC9H8BrNS
Molecular Weight242.14 g/mol
Exact Mass240.96
IUPAC Name5-bromo-N-methyl-1-benzothiophen-2-amine
SMILESCNc1cc2cc(Br)ccc2s1
InChIInChI=1S/C9H8BrNS/c1-11-9-5-6-4-7(10)2-3-8(6)12-9/h2-5,11H,1H3
InChIKeyGRJINVJZDLWTJZ-UHFFFAOYSA-N
XLogP3.71
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.14
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,5-dimethyl-1-benzothiophen-2-amine
CID 142226168
N-methyl-1-benzothiophen-2-amine
CID 18186472
5-bromo-2-fluoro-1-benzothiophene
CID 70982915
N-methyl-5-(trifluoromethoxy)-1-benzothiophen-2-amine
CID 166850415
5-bromo-N,N-dimethyl-1-benzothiophen-2-amine
CID 83919992
1-(5-bromo-1-benzothiophen-2-yl)ethanone
CID 617837
5-bromo-2-(isocyanomethyl)-1-benzothiophene
CID 83488426
5-bromo-2-(difluoromethyl)-1-benzothiophene
CID 84710979
5-bromo-1-benzothiophene-2-carboxamide
CID 119090366
2-(5-bromo-1-benzothiophen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 176902783
5-bromo-2-isocyanato-1-benzothiophene
CID 83825494
3-(5-bromo-1-benzothiophen-2-yl)propan-1-amine
CID 82625601

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-1-benzothiophen-2-amine?
The IUPAC name of 5-bromo-N-methyl-1-benzothiophen-2-amine (CID 172722312) is 5-bromo-N-methyl-1-benzothiophen-2-amine.
What is the SMILES notation for 5-bromo-N-methyl-1-benzothiophen-2-amine?
The canonical SMILES for 5-bromo-N-methyl-1-benzothiophen-2-amine is CNc1cc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-N-methyl-1-benzothiophen-2-amine?
The InChIKey is GRJINVJZDLWTJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNS/c1-11-9-5-6-4-7(10)2-3-8(6)12-9/h2-5,11H,1H3.
What are the key properties of 5-bromo-N-methyl-1-benzothiophen-2-amine?
5-bromo-N-methyl-1-benzothiophen-2-amine has a molecular weight of 242.14 g/mol, XLogP of 3.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-1-benzothiophen-2-amine is sourced from PubChem (CID 172722312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).