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

C16H17NOS2 — CID 115793012

IUPACN-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
SMILESCCNC(c1cc2sccc2s1)c1ccccc1OC
InChIInChI=1S/C16H17NOS2/c1-3-17-16(11-6-4-5-7-12(11)18-2)15-10-14-13(20-15)8-9-19-14/h4-10,16-17H,3H2,1-2H3
InChIKeyNOFGCQLKGQOBIR-UHFFFAOYSA-N
MW303.45 g/mol
LogP4.67
Rot. Bonds5

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

N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine (PubChem CID 115793012) has the molecular formula C16H17NOS2 and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
PubChem CID115793012
Molecular FormulaC16H17NOS2
Molecular Weight303.45 g/mol
Exact Mass303.08
IUPAC NameN-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
SMILESCCNC(c1cc2sccc2s1)c1ccccc1OC
InChIInChI=1S/C16H17NOS2/c1-3-17-16(11-6-4-5-7-12(11)18-2)15-10-14-13(20-15)8-9-19-14/h4-10,16-17H,3H2,1-2H3
InChIKeyNOFGCQLKGQOBIR-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-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115785668
N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105022309
N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80734490
N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80733605
N-[(2-methoxyphenyl)-phenylmethyl]ethanamine
CID 43489120
N-[(3-methoxythiophen-2-yl)-(2-propan-2-yloxyphenyl)methyl]ethanamine
CID 105018408
N-ethyl-2-(3-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 80738448
N-[(2-methoxy-4-methylphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 106792216
N-[1-benzothiophen-2-yl-(2-methylthiophen-3-yl)methyl]ethanamine
CID 102840880
N-[(3-propyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 105038758
N-[(4-methoxythiophen-2-yl)-(2-propoxyphenyl)methyl]ethanamine
CID 105035974
N-[(2-fluoro-3-methoxyphenyl)-(2-methoxyphenyl)methyl]ethanamine
CID 82793003

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The IUPAC name of N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine (CID 115793012) is N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine is CCNC(c1cc2sccc2s1)c1ccccc1OC.
What is the InChIKey of N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The InChIKey is NOFGCQLKGQOBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NOS2/c1-3-17-16(11-6-4-5-7-12(11)18-2)15-10-14-13(20-15)8-9-19-14/h4-10,16-17H,3H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
N-[(2-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-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine is sourced from PubChem (CID 115793012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).