(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

C15H14BrNS2 — CID 80745335

IUPAC(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCc1cc(C(N)c2cc3sccc3s2)c(C)cc1Br
InChIInChI=1S/C15H14BrNS2/c1-8-6-11(16)9(2)5-10(8)15(17)14-7-13-12(19-14)3-4-18-13/h3-7,15H,17H2,1-2H3
InChIKeyWLVHHXZNSAGLBT-UHFFFAOYSA-N
MW352.32 g/mol
LogP5.39
Rot. Bonds2

About (4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 80745335) has the molecular formula C15H14BrNS2 and a molecular weight of 352.32 g/mol. Its IUPAC name is (4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID80745335
Molecular FormulaC15H14BrNS2
Molecular Weight352.32 g/mol
Exact Mass350.98
IUPAC Name(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCc1cc(C(N)c2cc3sccc3s2)c(C)cc1Br
InChIInChI=1S/C15H14BrNS2/c1-8-6-11(16)9(2)5-10(8)15(17)14-7-13-12(19-14)3-4-18-13/h3-7,15H,17H2,1-2H3
InChIKeyWLVHHXZNSAGLBT-UHFFFAOYSA-N
XLogP5.39
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.32
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113
(4-bromo-2,5-dimethylphenyl)-(6-fluoro-1-benzothiophen-2-yl)methanamine
CID 81115671
(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745438
(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 106764406
(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733537
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80744859
1-benzothiophen-3-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733291
(1-methylpyrazol-3-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 103134428
(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105043877
5-[bromo-(3,4-dimethylphenyl)methyl]thieno[3,2-b]thiophene
CID 80745931
cyclohepten-1-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733888

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 80745335) is (4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is Cc1cc(C(N)c2cc3sccc3s2)c(C)cc1Br.
What is the InChIKey of (4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is WLVHHXZNSAGLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNS2/c1-8-6-11(16)9(2)5-10(8)15(17)14-7-13-12(19-14)3-4-18-13/h3-7,15H,17H2,1-2H3.
What are the key properties of (4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 352.32 g/mol, XLogP of 5.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 80745335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).