5-bromo-N,N-dimethyl-1-benzothiophen-2-amine

C10H10BrNS — CID 83919992

IUPAC5-bromo-N,N-dimethyl-1-benzothiophen-2-amine
SMILESCN(C)c1cc2cc(Br)ccc2s1
InChIInChI=1S/C10H10BrNS/c1-12(2)10-6-7-5-8(11)3-4-9(7)13-10/h3-6H,1-2H3
InChIKeyOESJNCLQJMCDLO-UHFFFAOYSA-N
MW256.17 g/mol
LogP3.73
Rot. Bonds1

About 5-bromo-N,N-dimethyl-1-benzothiophen-2-amine

5-bromo-N,N-dimethyl-1-benzothiophen-2-amine (PubChem CID 83919992) has the molecular formula C10H10BrNS and a molecular weight of 256.17 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-1-benzothiophen-2-amine.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-1-benzothiophen-2-amine
PubChem CID83919992
Molecular FormulaC10H10BrNS
Molecular Weight256.17 g/mol
Exact Mass254.97
IUPAC Name5-bromo-N,N-dimethyl-1-benzothiophen-2-amine
SMILESCN(C)c1cc2cc(Br)ccc2s1
InChIInChI=1S/C10H10BrNS/c1-12(2)10-6-7-5-8(11)3-4-9(7)13-10/h3-6H,1-2H3
InChIKeyOESJNCLQJMCDLO-UHFFFAOYSA-N
XLogP3.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.17
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-1-benzothiophen-2-amine?
The IUPAC name of 5-bromo-N,N-dimethyl-1-benzothiophen-2-amine (CID 83919992) is 5-bromo-N,N-dimethyl-1-benzothiophen-2-amine.
What is the SMILES notation for 5-bromo-N,N-dimethyl-1-benzothiophen-2-amine?
The canonical SMILES for 5-bromo-N,N-dimethyl-1-benzothiophen-2-amine is CN(C)c1cc2cc(Br)ccc2s1.
What is the InChIKey of 5-bromo-N,N-dimethyl-1-benzothiophen-2-amine?
The InChIKey is OESJNCLQJMCDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrNS/c1-12(2)10-6-7-5-8(11)3-4-9(7)13-10/h3-6H,1-2H3.
What are the key properties of 5-bromo-N,N-dimethyl-1-benzothiophen-2-amine?
5-bromo-N,N-dimethyl-1-benzothiophen-2-amine has a molecular weight of 256.17 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethyl-1-benzothiophen-2-amine is sourced from PubChem (CID 83919992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).