N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine

C17H19NS2 — CID 80733378

IUPACN-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1cc2sccc2s1)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H19NS2/c1-10-7-11(2)16(12(3)8-10)17(18-4)15-9-14-13(20-15)5-6-19-14/h5-9,17-18H,1-4H3
InChIKeyPLBYTRWBKMWNPI-UHFFFAOYSA-N
MW301.48 g/mol
LogP5.20
Rot. Bonds3

About N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine

N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine (PubChem CID 80733378) has the molecular formula C17H19NS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine.

Molecular Properties

Compound NameN-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine
PubChem CID80733378
Molecular FormulaC17H19NS2
Molecular Weight301.48 g/mol
Exact Mass301.10
IUPAC NameN-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine
SMILESCNC(c1cc2sccc2s1)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H19NS2/c1-10-7-11(2)16(12(3)8-10)17(18-4)15-9-14-13(20-15)5-6-19-14/h5-9,17-18H,1-4H3
InChIKeyPLBYTRWBKMWNPI-UHFFFAOYSA-N
XLogP5.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.48
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80734021
1-(2,5-difluoro-4-methylphenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80746048
1-(4,5-dibromothiophen-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745440
[(2-methylthiophen-3-yl)-thieno[3,2-b]thiophen-5-ylmethyl]hydrazine
CID 102843257
N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80734490
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105042170
1-(5-fluoro-1-benzofuran-2-yl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105046125
1-(4-bromo-5-chloro-2-fluorophenyl)-N-methyl-1-thieno[3,2-b]thiophen-5-ylmethanamine
CID 105398856
N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80733605
1-(4-methoxythiophen-2-yl)-N-methyl-1-(2,4,6-trimethylphenyl)methanamine
CID 81126757
5-[chloro-(4-methylphenyl)methyl]thieno[3,2-b]thiophene
CID 80744734
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine?
The IUPAC name of N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine (CID 80733378) is N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine.
What is the SMILES notation for N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine?
The canonical SMILES for N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine is CNC(c1cc2sccc2s1)c1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine?
The InChIKey is PLBYTRWBKMWNPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS2/c1-10-7-11(2)16(12(3)8-10)17(18-4)15-9-14-13(20-15)5-6-19-14/h5-9,17-18H,1-4H3.
What are the key properties of N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine?
N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine has a molecular weight of 301.48 g/mol, XLogP of 5.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-thieno[3,2-b]thiophen-5-yl-1-(2,4,6-trimethylphenyl)methanamine is sourced from PubChem (CID 80733378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).