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

C11H12BrNS — CID 131218254

IUPAC2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine
SMILESCCc1ccc2c(N)c(CBr)sc2c1
InChIInChI=1S/C11H12BrNS/c1-2-7-3-4-8-9(5-7)14-10(6-12)11(8)13/h3-5H,2,6,13H2,1H3
InChIKeyZLOSMLBZBIGADL-UHFFFAOYSA-N
MW270.19 g/mol
LogP3.94
Rot. Bonds2

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

2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine (PubChem CID 131218254) has the molecular formula C11H12BrNS and a molecular weight of 270.19 g/mol. Its IUPAC name is 2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine.

Molecular Properties

Compound Name2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine
PubChem CID131218254
Molecular FormulaC11H12BrNS
Molecular Weight270.19 g/mol
Exact Mass268.99
IUPAC Name2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine
SMILESCCc1ccc2c(N)c(CBr)sc2c1
InChIInChI=1S/C11H12BrNS/c1-2-7-3-4-8-9(5-7)14-10(6-12)11(8)13/h3-5H,2,6,13H2,1H3
InChIKeyZLOSMLBZBIGADL-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 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

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-1-benzothiophene-3,6-diamine
CID 131030880
3-bromo-2-(chloromethyl)-6-ethyl-1-benzothiophene
CID 131119351
3-amino-2-ethyl-1-benzothiophen-6-ol
CID 131055002
6-(bromomethyl)-2-methoxy-1-benzothiophen-3-amine
CID 130971658
3-ethyl-7-propyldibenzothiophene
CID 135251711
2-bromo-6-(chloromethyl)-1-benzothiophen-3-amine
CID 130969350
ethane;6-ethyl-3-methyl-1,2-benzothiazole
CID 90929193
6-ethyl-3-sulfanyl-1-benzothiophene-2-carbaldehyde
CID 130901424
ethyl 3-chloro-6-ethyl-1-benzothiophene-2-carboxylate
CID 831402
3-chloro-6-ethyl-1-benzothiophene-2-carboxylic acid
CID 904005
4-bromo-2,6-diethyl-1-benzothiophene
CID 131029500
3-chloro-6-ethyl-1-benzothiophene
CID 91757441

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine?
The IUPAC name of 2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine (CID 131218254) is 2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine.
What is the SMILES notation for 2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine?
The canonical SMILES for 2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine is CCc1ccc2c(N)c(CBr)sc2c1.
What is the InChIKey of 2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine?
The InChIKey is ZLOSMLBZBIGADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNS/c1-2-7-3-4-8-9(5-7)14-10(6-12)11(8)13/h3-5H,2,6,13H2,1H3.
What are the key properties of 2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine?
2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine 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 2-(bromomethyl)-6-ethyl-1-benzothiophen-3-amine is sourced from PubChem (CID 131218254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).