N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine

C17H19NS2 — CID 80734490

IUPACN-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1cc2sccc2s1
InChIInChI=1S/C17H19NS2/c1-4-18-17(13-6-5-11(2)12(3)9-13)16-10-15-14(20-16)7-8-19-15/h5-10,17-18H,4H2,1-3H3
InChIKeyZXVXCFPRCYKTFY-UHFFFAOYSA-N
MW301.48 g/mol
LogP5.28
Rot. Bonds4

About N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine

N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine (PubChem CID 80734490) has the molecular formula C17H19NS2 and a molecular weight of 301.48 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
PubChem CID80734490
Molecular FormulaC17H19NS2
Molecular Weight301.48 g/mol
Exact Mass301.10
IUPAC NameN-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
SMILESCCNC(c1ccc(C)c(C)c1)c1cc2sccc2s1
InChIInChI=1S/C17H19NS2/c1-4-18-17(13-6-5-11(2)12(3)9-13)16-10-15-14(20-16)7-8-19-15/h5-10,17-18H,4H2,1-3H3
InChIKeyZXVXCFPRCYKTFY-UHFFFAOYSA-N
XLogP5.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.48
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80733605
N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115785668
5-[bromo-(3,4-dimethylphenyl)methyl]thieno[3,2-b]thiophene
CID 80745931
N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105022309
N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 80733803
N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115793012
N-[(3-chlorophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115811372
N-[(3-ethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105018529
N-[(5-methyl-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105022872
N-[(3,4-dimethylphenyl)-(4-methylphenyl)methyl]ethanamine
CID 43488020
N-[1-benzothiophen-7-yl-(3,4-dimethylphenyl)methyl]ethanamine
CID 105021991
N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105038758

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The IUPAC name of N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine (CID 80734490) is N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine is CCNC(c1ccc(C)c(C)c1)c1cc2sccc2s1.
What is the InChIKey of N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The InChIKey is ZXVXCFPRCYKTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NS2/c1-4-18-17(13-6-5-11(2)12(3)9-13)16-10-15-14(20-16)7-8-19-15/h5-10,17-18H,4H2,1-3H3.
What are the key properties of N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine has a molecular weight of 301.48 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine is sourced from PubChem (CID 80734490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).