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

C16H17NOS2 — CID 115785668

IUPACN-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cc2sccc2s1
InChIInChI=1S/C16H17NOS2/c1-3-17-16(11-5-4-6-12(9-11)18-2)15-10-14-13(20-15)7-8-19-14/h4-10,16-17H,3H2,1-2H3
InChIKeyJPPZGPVSUYCXAA-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.67
Rot. Bonds5

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

N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine (PubChem CID 115785668) has the molecular formula C16H17NOS2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
PubChem CID115785668
Molecular FormulaC16H17NOS2
Molecular Weight303.45 g/mol
Exact Mass303.08
IUPAC NameN-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
SMILESCCNC(c1cccc(OC)c1)c1cc2sccc2s1
InChIInChI=1S/C16H17NOS2/c1-3-17-16(11-5-4-6-12(9-11)18-2)15-10-14-13(20-15)7-8-19-14/h4-10,16-17H,3H2,1-2H3
InChIKeyJPPZGPVSUYCXAA-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105022309
N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738448
N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115793012
N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80734490
N-[(3-methoxyphenyl)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 55007060
N-[(3-chlorothiophen-2-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 80529194
N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80733605
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-[(3-methoxyphenyl)-(3-methylphenyl)methyl]ethanamine
CID 60797781
N-[(2,5-dichlorothiophen-3-yl)-(3-methoxyphenyl)methyl]ethanamine
CID 43493094
N-[(3-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 43492453

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The IUPAC name of N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine (CID 115785668) is N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine is CCNC(c1cccc(OC)c1)c1cc2sccc2s1.
What is the InChIKey of N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The InChIKey is JPPZGPVSUYCXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS2/c1-3-17-16(11-5-4-6-12(9-11)18-2)15-10-14-13(20-15)7-8-19-14/h4-10,16-17H,3H2,1-2H3.
What are the key properties of N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine has a molecular weight of 303.45 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine is sourced from PubChem (CID 115785668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).