3-bromo-4-ethoxy-1-benzothiophen-2-amine

C10H10BrNOS — CID 131098465

IUPAC3-bromo-4-ethoxy-1-benzothiophen-2-amine
SMILESCCOc1cccc2sc(N)c(Br)c12
InChIInChI=1S/C10H10BrNOS/c1-2-13-6-4-3-5-7-8(6)9(11)10(12)14-7/h3-5H,2,12H2,1H3
InChIKeyMJWHHBCDCLBHCK-UHFFFAOYSA-N
MW272.17 g/mol
LogP3.64
Rot. Bonds2

About 3-bromo-4-ethoxy-1-benzothiophen-2-amine

3-bromo-4-ethoxy-1-benzothiophen-2-amine (PubChem CID 131098465) has the molecular formula C10H10BrNOS and a molecular weight of 272.17 g/mol. Its IUPAC name is 3-bromo-4-ethoxy-1-benzothiophen-2-amine.

Molecular Properties

Compound Name3-bromo-4-ethoxy-1-benzothiophen-2-amine
PubChem CID131098465
Molecular FormulaC10H10BrNOS
Molecular Weight272.17 g/mol
Exact Mass270.97
IUPAC Name3-bromo-4-ethoxy-1-benzothiophen-2-amine
SMILESCCOc1cccc2sc(N)c(Br)c12
InChIInChI=1S/C10H10BrNOS/c1-2-13-6-4-3-5-7-8(6)9(11)10(12)14-7/h3-5H,2,12H2,1H3
InChIKeyMJWHHBCDCLBHCK-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

Analyze 3-bromo-4-ethoxy-1-benzothiophen-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-4-ethoxy-1-benzothiophene-3-thiol
CID 130816645
4-ethoxy-3-fluoro-1-benzothiophene-2-thiol
CID 130792742
2-bromo-4-chloro-3-ethoxy-1-benzothiophene
CID 131034318
3-chloro-4-methoxy-1-benzothiophen-2-amine
CID 130884124
(3-bromo-2-ethyl-1-benzothiophen-4-yl) acetate
CID 21303419
2-bromo-1-(2,2-dimethylpropoxy)-3-ethoxybenzene
CID 170602979
6-bromo-3-ethoxy-1-benzothiophen-2-amine
CID 131075965
4-ethoxy-2,1-benzoxazol-3-amine
CID 146278299
2-bromo-6-ethoxybenzenethiol
CID 91874370
4-amino-2-ethoxy-1-benzothiophene-3-carbonitrile
CID 131554708
3-bromo-4-methoxy-1-benzothiophene-2-carbaldehyde
CID 130901126
3-ethoxy-2,4-dimethyl-1-benzothiophene
CID 131169695

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-ethoxy-1-benzothiophen-2-amine?
The IUPAC name of 3-bromo-4-ethoxy-1-benzothiophen-2-amine (CID 131098465) is 3-bromo-4-ethoxy-1-benzothiophen-2-amine.
What is the SMILES notation for 3-bromo-4-ethoxy-1-benzothiophen-2-amine?
The canonical SMILES for 3-bromo-4-ethoxy-1-benzothiophen-2-amine is CCOc1cccc2sc(N)c(Br)c12.
What is the InChIKey of 3-bromo-4-ethoxy-1-benzothiophen-2-amine?
The InChIKey is MJWHHBCDCLBHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNOS/c1-2-13-6-4-3-5-7-8(6)9(11)10(12)14-7/h3-5H,2,12H2,1H3.
What are the key properties of 3-bromo-4-ethoxy-1-benzothiophen-2-amine?
3-bromo-4-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 3-bromo-4-ethoxy-1-benzothiophen-2-amine is sourced from PubChem (CID 131098465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).