(6-bromo-1-benzothiophen-2-yl)methanamine

C9H8BrNS — CID 82622131

IUPAC(6-bromo-1-benzothiophen-2-yl)methanamine
SMILESNCc1cc2ccc(Br)cc2s1
InChIInChI=1S/C9H8BrNS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4H,5,11H2
InChIKeyLFZULRRWARPPKY-UHFFFAOYSA-N
MW242.14 g/mol
LogP3.12
Rot. Bonds1

About (6-bromo-1-benzothiophen-2-yl)methanamine

(6-bromo-1-benzothiophen-2-yl)methanamine (PubChem CID 82622131) has the molecular formula C9H8BrNS and a molecular weight of 242.14 g/mol. Its IUPAC name is (6-bromo-1-benzothiophen-2-yl)methanamine.

Molecular Properties

Compound Name(6-bromo-1-benzothiophen-2-yl)methanamine
PubChem CID82622131
Molecular FormulaC9H8BrNS
Molecular Weight242.14 g/mol
Exact Mass240.96
IUPAC Name(6-bromo-1-benzothiophen-2-yl)methanamine
SMILESNCc1cc2ccc(Br)cc2s1
InChIInChI=1S/C9H8BrNS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4H,5,11H2
InChIKeyLFZULRRWARPPKY-UHFFFAOYSA-N
XLogP3.12
TPSA26.02 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 ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzothiophen-2-ylmethylamine
CID 237074
(5-Bromobenzo[b]thiophen-3-yl)methanamine
CID 7537503
N-[(4-bromo-1-benzothien-3-yl)methyl]sulfamide
CID 11623927
N-[(6-bromo-1-benzothiophen-2-yl)methyl]-1-piperidin-4-ylmethanamine
CID 145984839
(5-Bromo-1-benzothiophen-2-YL)methanamine
CID 71043269
2-(5-Bromo-1-benzothiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 32098
Benzo(b)thiophene-3-ethylamine, 5-bromo-, hydrochloride
CID 89947
1-Benzothiophen-2-ylmethanamine hydrochloride
CID 16956075
(5-Fluoro-1-benzothiophen-2-yl)methanamine
CID 39869113
Guanidine, ((5-bromobenzo(b)thien-2-yl)methyl)-, monohydriodide
CID 211390
2-(4-Bromophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062009
(3-Methyl-1-benzothiophen-2-yl)methanamine
CID 67504872

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1-benzothiophen-2-yl)methanamine?
The IUPAC name of (6-bromo-1-benzothiophen-2-yl)methanamine (CID 82622131) is (6-bromo-1-benzothiophen-2-yl)methanamine.
What is the SMILES notation for (6-bromo-1-benzothiophen-2-yl)methanamine?
The canonical SMILES for (6-bromo-1-benzothiophen-2-yl)methanamine is NCc1cc2ccc(Br)cc2s1.
What is the InChIKey of (6-bromo-1-benzothiophen-2-yl)methanamine?
The InChIKey is LFZULRRWARPPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrNS/c10-7-2-1-6-3-8(5-11)12-9(6)4-7/h1-4H,5,11H2.
What are the key properties of (6-bromo-1-benzothiophen-2-yl)methanamine?
(6-bromo-1-benzothiophen-2-yl)methanamine has a molecular weight of 242.14 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1-benzothiophen-2-yl)methanamine is sourced from PubChem (CID 82622131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).