7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine

C10H12BrNS — CID 43539433

IUPAC7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCNC1CSc2c(Br)cccc21
InChIInChI=1S/C10H12BrNS/c1-2-12-9-6-13-10-7(9)4-3-5-8(10)11/h3-5,9,12H,2,6H2,1H3
InChIKeyAMIBBDFKWXOXTO-UHFFFAOYSA-N
MW258.18 g/mol
LogP3.21
Rot. Bonds2

About 7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine

7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 43539433) has the molecular formula C10H12BrNS and a molecular weight of 258.18 g/mol. Its IUPAC name is 7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound Name7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID43539433
Molecular FormulaC10H12BrNS
Molecular Weight258.18 g/mol
Exact Mass256.99
IUPAC Name7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine
SMILESCCNC1CSc2c(Br)cccc21
InChIInChI=1S/C10H12BrNS/c1-2-12-9-6-13-10-7(9)4-3-5-8(10)11/h3-5,9,12H,2,6H2,1H3
InChIKeyAMIBBDFKWXOXTO-UHFFFAOYSA-N
XLogP3.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.18
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of 7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine (CID 43539433) is 7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for 7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for 7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine is CCNC1CSc2c(Br)cccc21.
What is the InChIKey of 7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is AMIBBDFKWXOXTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrNS/c1-2-12-9-6-13-10-7(9)4-3-5-8(10)11/h3-5,9,12H,2,6H2,1H3.
What are the key properties of 7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine?
7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 258.18 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-ethyl-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 43539433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).