6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine

C10H10BrNOS — CID 130971658

IUPAC6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine
SMILESCOc1sc2cc(CBr)ccc2c1N
InChIInChI=1S/C10H10BrNOS/c1-13-10-9(12)7-3-2-6(5-11)4-8(7)14-10/h2-4H,5,12H2,1H3
InChIKeyPFBOTYIHIJRBIR-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.39
Rot. Bonds2

About 6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine

6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine (PubChem CID 130971658) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine.

Molecular Properties

Compound Name6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine
PubChem CID130971658
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine
SMILESCOc1sc2cc(CBr)ccc2c1N
InChIInChI=1S/C10H10BrNOS/c1-13-10-9(12)7-3-2-6(5-11)4-8(7)14-10/h2-4H,5,12H2,1H3
InChIKeyPFBOTYIHIJRBIR-UHFFFAOYSA-N
XLogP3.39
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.17
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(chloromethyl)-2-methoxy-1-benzothiophen-3-amine
CID 131053815
2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine
CID 131218254
6-(bromomethyl)-3-fluoro-2-methylsulfanyl-1-benzothiophene
CID 130870517
[6-(bromomethyl)-2-methyl-1-benzothiophen-3-yl]methanol
CID 131091512
6-(bromomethyl)-3-chloro-2-methylsulfanyl-1-benzothiophene
CID 130884787
2-bromo-6-(chloromethyl)-1-benzothiophen-3-amine
CID 130969350
2-(bromomethyl)-1-benzothiophene-3,6-diamine
CID 131030880
6-(bromomethyl)-3-fluoro-1-benzothiophene-2-carbaldehyde
CID 130898250
2-(bromomethyl)-6-methoxy-1-benzothiophen-3-ol
CID 131031026
3-amino-6-methoxy-1-benzothiophene-2-carboxylic acid
CID 57099213
5-(bromomethyl)-2-fluoro-3-iodo-1-benzothiophene
CID 130925722
6-chloro-3-fluoro-2-methoxy-1-benzothiophene
CID 130898277

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine?
The IUPAC name of 6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine (CID 130971658) is 6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine.
What is the SMILES notation for 6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine?
The canonical SMILES for 6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine is COc1sc2cc(CBr)ccc2c1N.
What is the InChIKey of 6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine?
The InChIKey is PFBOTYIHIJRBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-13-10-9(12)7-3-2-6(5-11)4-8(7)14-10/h2-4H,5,12H2,1H3.
What are the key properties of 6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine?
6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine has a molecular weight of 272.17 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine is sourced from PubChem (CID 130971658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).