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

C13H10BrNS2 — CID 80733537

IUPAC(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1ccc(Br)cc1)c1cc2sccc2s1
InChIInChI=1S/C13H10BrNS2/c14-9-3-1-8(2-4-9)13(15)12-7-11-10(17-12)5-6-16-11/h1-7,13H,15H2
InChIKeyDQIBVVNVPYSHNI-UHFFFAOYSA-N
MW324.27 g/mol
LogP4.77
Rot. Bonds2

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

(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 80733537) has the molecular formula C13H10BrNS2 and a molecular weight of 324.27 g/mol. Its IUPAC name is (4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID80733537
Molecular FormulaC13H10BrNS2
Molecular Weight324.27 g/mol
Exact Mass322.94
IUPAC Name(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESNC(c1ccc(Br)cc1)c1cc2sccc2s1
InChIInChI=1S/C13H10BrNS2/c14-9-3-1-8(2-4-9)13(15)12-7-11-10(17-12)5-6-16-11/h1-7,13H,15H2
InChIKeyDQIBVVNVPYSHNI-UHFFFAOYSA-N
XLogP4.77
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80744859
(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733867
[4-fluoro-3-(trifluoromethyl)phenyl]-thieno[3,2-b]thiophen-5-ylmethanamine
CID 107291822
N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 80733803
(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745335
2,3-dihydro-1-benzofuran-5-yl(thieno[3,2-b]thiophen-5-yl)methanamine
CID 80733287
(4-bromo-5-chlorothiophen-2-yl)-(4-bromophenyl)methanamine
CID 102828019
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113
(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 106764406
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
5-[chloro-(4-methylphenyl)methyl]thieno[3,2-b]thiophene
CID 80744734
(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745438

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 80733537) is (4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is NC(c1ccc(Br)cc1)c1cc2sccc2s1.
What is the InChIKey of (4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is DQIBVVNVPYSHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNS2/c14-9-3-1-8(2-4-9)13(15)12-7-11-10(17-12)5-6-16-11/h1-7,13H,15H2.
What are the key properties of (4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 324.27 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 80733537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).