6-bromo-3-ethoxy-1-benzothiophen-2-amine

C10H10BrNOS — CID 131075965

IUPAC6-bromo-3-ethoxy-1-benzothiophen-2-amine
SMILESCCOc1c(N)sc2cc(Br)ccc12
InChIInChI=1S/C10H10BrNOS/c1-2-13-9-7-4-3-6(11)5-8(7)14-10(9)12/h3-5H,2,12H2,1H3
InChIKeyARSAJCMIFBTLCD-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.64
Rot. Bonds2

About 6-bromo-3-ethoxy-1-benzothiophen-2-amine

6-bromo-3-ethoxy-1-benzothiophen-2-amine (PubChem CID 131075965) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 6-bromo-3-ethoxy-1-benzothiophen-2-amine.

Molecular Properties

Compound Name6-bromo-3-ethoxy-1-benzothiophen-2-amine
PubChem CID131075965
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name6-bromo-3-ethoxy-1-benzothiophen-2-amine
SMILESCCOc1c(N)sc2cc(Br)ccc12
InChIInChI=1S/C10H10BrNOS/c1-2-13-9-7-4-3-6(11)5-8(7)14-10(9)12/h3-5H,2,12H2,1H3
InChIKeyARSAJCMIFBTLCD-UHFFFAOYSA-N
XLogP3.64
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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-ethoxy-1-benzothiophene-2-thiol
CID 131098357
ethyl 2-(aminomethyl)-6-bromo-1-benzothiophene-3-carboxylate
CID 170076156
2-bromo-6-ethoxy-1-benzothiophene-3-thiol
CID 131075867
2-amino-4-ethoxy-1-benzothiophene-5-thiol
CID 131080544
3-amino-6-bromo-N,N-dipropyl-1-benzothiophene-2-carboxamide
CID 114907680
4-bromo-2-ethoxy-1-benzothiophen-5-amine
CID 131031143
3-bromo-4-ethoxy-1-benzothiophen-2-amine
CID 131098465
4-[(4-bromophenyl)diazenyl]-2-ethoxyaniline
CID 123923129
2-ethoxy-3-iodo-1-benzothiophen-6-amine
CID 131031203
5-(5-bromo-2-ethoxyphenyl)-1,3-thiazol-2-amine
CID 164893337
4-bromo-2-(2-ethoxyethoxy)aniline
CID 65342534
3-amino-6-bromo-N-butan-2-yl-N-ethyl-1-benzothiophene-2-carboxamide
CID 114907749

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethoxy-1-benzothiophen-2-amine?
The IUPAC name of 6-bromo-3-ethoxy-1-benzothiophen-2-amine (CID 131075965) is 6-bromo-3-ethoxy-1-benzothiophen-2-amine.
What is the SMILES notation for 6-bromo-3-ethoxy-1-benzothiophen-2-amine?
The canonical SMILES for 6-bromo-3-ethoxy-1-benzothiophen-2-amine is CCOc1c(N)sc2cc(Br)ccc12.
What is the InChIKey of 6-bromo-3-ethoxy-1-benzothiophen-2-amine?
The InChIKey is ARSAJCMIFBTLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-2-13-9-7-4-3-6(11)5-8(7)14-10(9)12/h3-5H,2,12H2,1H3.
What are the key properties of 6-bromo-3-ethoxy-1-benzothiophen-2-amine?
6-bromo-3-ethoxy-1-benzothiophen-2-amine has a molecular weight of 272.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethoxy-1-benzothiophen-2-amine is sourced from PubChem (CID 131075965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).