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

C14H12ClNS2 — CID 80745793

IUPAC2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNC(Cc1ccccc1Cl)c1cc2sccc2s1
InChIInChI=1S/C14H12ClNS2/c15-10-4-2-1-3-9(10)7-11(16)13-8-14-12(18-13)5-6-17-14/h1-6,8,11H,7,16H2
InChIKeyHYRLKFIZSGJQBS-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.86
Rot. Bonds3

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

2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine (PubChem CID 80745793) has the molecular formula C14H12ClNS2 and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
PubChem CID80745793
Molecular FormulaC14H12ClNS2
Molecular Weight293.84 g/mol
Exact Mass293.01
IUPAC Name2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
SMILESNC(Cc1ccccc1Cl)c1cc2sccc2s1
InChIInChI=1S/C14H12ClNS2/c15-10-4-2-1-3-9(10)7-11(16)13-8-14-12(18-13)5-6-17-14/h1-6,8,11H,7,16H2
InChIKeyHYRLKFIZSGJQBS-UHFFFAOYSA-N
XLogP4.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 115830695
2-(3-chloro-4-pyridinyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 112655417
2-(1,3-benzothiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738576
2-(2-chlorophenyl)-1-(4,5-dimethylthiophen-2-yl)ethanamine
CID 65239408
2-pyridin-3-yl-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105034758
2-(1,3-thiazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105015351
1-(4-bromo-5-methylthiophen-2-yl)-2-(2-chlorophenyl)ethanamine
CID 102827153
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
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105008209
4,4,4-trifluoro-1-thieno[3,2-b]thiophen-5-ylbutan-1-amine
CID 104992946
2-(1H-imidazol-2-yl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80733712

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The IUPAC name of 2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine (CID 80745793) is 2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine is NC(Cc1ccccc1Cl)c1cc2sccc2s1.
What is the InChIKey of 2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
The InChIKey is HYRLKFIZSGJQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNS2/c15-10-4-2-1-3-9(10)7-11(16)13-8-14-12(18-13)5-6-17-14/h1-6,8,11H,7,16H2.
What are the key properties of 2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine?
2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine has a molecular weight of 293.84 g/mol, XLogP of 4.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine is sourced from PubChem (CID 80745793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).