1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine

C16H17NS2 — CID 80734021

IUPAC1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCNC(c1cc2sccc2s1)c1cc(C)ccc1C
InChIInChI=1S/C16H17NS2/c1-10-4-5-11(2)12(8-10)16(17-3)15-9-14-13(19-15)6-7-18-14/h4-9,16-17H,1-3H3
InChIKeyVUUZYOXMQPHUFI-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.89
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine

1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 80734021) has the molecular formula C16H17NS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID80734021
Molecular FormulaC16H17NS2
Molecular Weight287.45 g/mol
Exact Mass287.08
IUPAC Name1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCNC(c1cc2sccc2s1)c1cc(C)ccc1C
InChIInChI=1S/C16H17NS2/c1-10-4-5-11(2)12(8-10)16(17-3)15-9-14-13(19-15)6-7-18-14/h4-9,16-17H,1-3H3
InChIKeyVUUZYOXMQPHUFI-UHFFFAOYSA-N
XLogP4.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine 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

N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine
CID 80733378
1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80746048
N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115852659
1-(5-bromothiophen-2-yl)-1-(2,5-dimethylphenyl)-N-methylmethanamine
CID 43483741
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745440
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105398856
1-(2,5-dimethylphenyl)-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105120600
[(2-methylthiophen-3-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 102843257
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113
N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80734490
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 114979263
5-[chloro-(4-methylphenyl)methyl]thieno[3,2-b]thiophene
CID 80744734

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine (CID 80734021) is 1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine is CNC(c1cc2sccc2s1)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is VUUZYOXMQPHUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS2/c1-10-4-5-11(2)12(8-10)16(17-3)15-9-14-13(19-15)6-7-18-14/h4-9,16-17H,1-3H3.
What are the key properties of 1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine?
1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 287.45 g/mol, XLogP of 4.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 80734021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).