2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine

C14H11Cl2NS2 — CID 115830695

IUPAC2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1cc2sccc2s1
InChIInChI=1S/C14H11Cl2NS2/c15-9-2-1-3-10(16)8(9)6-11(17)13-7-14-12(19-13)4-5-18-14/h1-5,7,11H,6,17H2
InChIKeyNGGNYJNIBRVPIE-UHFFFAOYSA-N
MW328.29 g/mol
LogP5.51
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine

2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 115830695) has the molecular formula C14H11Cl2NS2 and a molecular weight of 328.29 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID115830695
Molecular FormulaC14H11Cl2NS2
Molecular Weight328.29 g/mol
Exact Mass326.97
IUPAC Name2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNC(Cc1c(Cl)cccc1Cl)c1cc2sccc2s1
InChIInChI=1S/C14H11Cl2NS2/c15-9-2-1-3-10(16)8(9)6-11(17)13-7-14-12(19-13)4-5-18-14/h1-5,7,11H,6,17H2
InChIKeyNGGNYJNIBRVPIE-UHFFFAOYSA-N
XLogP5.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.29
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80745793
2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 112655417
2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105015351
2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738576
2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105034758
(7-chloro-1-benzofuran-2-yl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105048658
1-thieno[3,2-b]thiophen-5-yl-2-[4-(trifluoromethyl)phenyl]ethanamine
CID 80738455
3-methylsulfonyl-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115848689
4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104992946
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105008209
2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80733712
(3,4-dichlorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733867

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 115830695) is 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine is NC(Cc1c(Cl)cccc1Cl)c1cc2sccc2s1.
What is the InChIKey of 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is NGGNYJNIBRVPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2NS2/c15-9-2-1-3-10(16)8(9)6-11(17)13-7-14-12(19-13)4-5-18-14/h1-5,7,11H,6,17H2.
What are the key properties of 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 328.29 g/mol, XLogP of 5.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 115830695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).