1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine

C12H11Br2NS — CID 61470004

IUPAC1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2cc(Br)ccc2Br)s1
InChIInChI=1S/C12H11Br2NS/c1-7(15)11-4-5-12(16-11)9-6-8(13)2-3-10(9)14/h2-7H,15H2,1H3
InChIKeyPQIDSMQJIVVMHV-UHFFFAOYSA-N
MW361.10 g/mol
LogP4.96
Rot. Bonds2

About 1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine

1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine (PubChem CID 61470004) has the molecular formula C12H11Br2NS and a molecular weight of 361.10 g/mol. Its IUPAC name is 1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine
PubChem CID61470004
Molecular FormulaC12H11Br2NS
Molecular Weight361.10 g/mol
Exact Mass358.90
IUPAC Name1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine
SMILESCC(N)c1ccc(-c2cc(Br)ccc2Br)s1
InChIInChI=1S/C12H11Br2NS/c1-7(15)11-4-5-12(16-11)9-6-8(13)2-3-10(9)14/h2-7H,15H2,1H3
InChIKeyPQIDSMQJIVVMHV-UHFFFAOYSA-N
XLogP4.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.10
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine 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

1-[5-(2,5-dibromophenyl)thiophen-2-yl]-N,2-dimethylpropan-1-amine
CID 63400441
1-[5-(2,5-dibromophenyl)-1,3,4-thiadiazol-2-yl]ethanamine
CID 114376146
[5-(5-bromo-2-methylphenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 43806601
1-[5-(4-chloro-2-fluorophenyl)thiophen-2-yl]ethanamine
CID 43154378
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]butan-1-amine
CID 81274603
1-[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-N-methylethanamine
CID 81275271
[5-(2-bromo-5-chlorophenyl)thiophen-2-yl]-cyclopropylmethanamine
CID 81275428
1-[5-(2,5-dibromophenyl)thiophen-2-yl]propan-1-one
CID 63400906
2-methyl-1-[5-(2,4,6-tribromophenyl)thiophen-2-yl]propan-1-amine
CID 43331832
1-[5-(4-bromo-2-fluorophenyl)thiophen-2-yl]butan-1-amine
CID 43363461
4-[5-(1-aminoethyl)thiophen-2-yl]phenol
CID 82542128
N-[[5-(2,5-dibromophenyl)thiophen-2-yl]methyl]propan-1-amine
CID 55187278

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine?
The IUPAC name of 1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine (CID 61470004) is 1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine?
The canonical SMILES for 1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine is CC(N)c1ccc(-c2cc(Br)ccc2Br)s1.
What is the InChIKey of 1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine?
The InChIKey is PQIDSMQJIVVMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br2NS/c1-7(15)11-4-5-12(16-11)9-6-8(13)2-3-10(9)14/h2-7H,15H2,1H3.
What are the key properties of 1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine?
1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine has a molecular weight of 361.10 g/mol, XLogP of 4.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dibromophenyl)thiophen-2-yl]ethanamine is sourced from PubChem (CID 61470004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).