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

C17H19NOS2 — CID 105022309

IUPACN-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1cc2sccc2s1
InChIInChI=1S/C17H19NOS2/c1-3-18-17(12-6-5-7-13(10-12)19-4-2)16-11-15-14(21-16)8-9-20-15/h5-11,17-18H,3-4H2,1-2H3
InChIKeyBRRNOMLTRDJHAP-UHFFFAOYSA-N
MW317.48 g/mol
LogP5.06
Rot. Bonds6

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

N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine (PubChem CID 105022309) has the molecular formula C17H19NOS2 and a molecular weight of 317.48 g/mol. Its IUPAC name is N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
PubChem CID105022309
Molecular FormulaC17H19NOS2
Molecular Weight317.48 g/mol
Exact Mass317.09
IUPAC NameN-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
SMILESCCNC(c1cccc(OCC)c1)c1cc2sccc2s1
InChIInChI=1S/C17H19NOS2/c1-3-18-17(12-6-5-7-13(10-12)19-4-2)16-11-15-14(21-16)8-9-20-15/h5-11,17-18H,3-4H2,1-2H3
InChIKeyBRRNOMLTRDJHAP-UHFFFAOYSA-N
XLogP5.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.48
LogP ≤ 55.06
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)-(3-methylthiophen-2-yl)methyl]ethanamine
CID 79989146
N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80734490
N-[(2-methoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 115793012
N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80733605
N-[(3-propoxyphenyl)-thiophen-2-ylmethyl]ethanamine
CID 62920874
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-[(2,5-dichlorothiophen-3-yl)-(3-ethoxyphenyl)methyl]ethanamine
CID 107968848
N-[(3,5-dimethylphenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 60919282
N-[(3-ethoxyphenyl)-(5-methylfuran-2-yl)methyl]ethanamine
CID 105022297
N-[(2,3-difluorophenyl)-(3-ethoxyphenyl)methyl]ethanamine
CID 63988191

Frequently Asked Questions

What is the IUPAC name of N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The IUPAC name of N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine (CID 105022309) is N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine.
What is the SMILES notation for N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The canonical SMILES for N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine is CCNC(c1cccc(OCC)c1)c1cc2sccc2s1.
What is the InChIKey of N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
The InChIKey is BRRNOMLTRDJHAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NOS2/c1-3-18-17(12-6-5-7-13(10-12)19-4-2)16-11-15-14(21-16)8-9-20-15/h5-11,17-18H,3-4H2,1-2H3.
What are the key properties of N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine?
N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine has a molecular weight of 317.48 g/mol, XLogP of 5.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine is sourced from PubChem (CID 105022309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).