N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine

C14H11Br2NS — CID 107597735

IUPACN-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESBrc1cccc(Br)c1NC1CSc2ccccc21
InChIInChI=1S/C14H11Br2NS/c15-10-5-3-6-11(16)14(10)17-12-8-18-13-7-2-1-4-9(12)13/h1-7,12,17H,8H2
InChIKeyLHEGQFWUKKRUIH-UHFFFAOYSA-N
MW385.12 g/mol
LogP5.47
Rot. Bonds2

About N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine

N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine (PubChem CID 107597735) has the molecular formula C14H11Br2NS and a molecular weight of 385.12 g/mol. Its IUPAC name is N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine.

Molecular Properties

Compound NameN-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine
PubChem CID107597735
Molecular FormulaC14H11Br2NS
Molecular Weight385.12 g/mol
Exact Mass382.90
IUPAC NameN-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine
SMILESBrc1cccc(Br)c1NC1CSc2ccccc21
InChIInChI=1S/C14H11Br2NS/c15-10-5-3-6-11(16)14(10)17-12-8-18-13-7-2-1-4-9(12)13/h1-7,12,17H,8H2
InChIKeyLHEGQFWUKKRUIH-UHFFFAOYSA-N
XLogP5.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.12
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine?
The IUPAC name of N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine (CID 107597735) is N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine.
What is the SMILES notation for N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine?
The canonical SMILES for N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine is Brc1cccc(Br)c1NC1CSc2ccccc21.
What is the InChIKey of N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine?
The InChIKey is LHEGQFWUKKRUIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2NS/c15-10-5-3-6-11(16)14(10)17-12-8-18-13-7-2-1-4-9(12)13/h1-7,12,17H,8H2.
What are the key properties of N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine?
N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine has a molecular weight of 385.12 g/mol, XLogP of 5.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dibromophenyl)-2,3-dihydro-1-benzothiophen-3-amine is sourced from PubChem (CID 107597735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).