(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

C15H14BrNOS2 — CID 80745438

IUPAC(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCCOc1ccc(C(N)c2cc3sccc3s2)c(Br)c1
InChIInChI=1S/C15H14BrNOS2/c1-2-18-9-3-4-10(11(16)7-9)15(17)14-8-13-12(20-14)5-6-19-13/h3-8,15H,2,17H2,1H3
InChIKeyPURGHLMYVGCZNK-UHFFFAOYSA-N
MW368.32 g/mol
LogP5.17
Rot. Bonds4

About (2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine

(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (PubChem CID 80745438) has the molecular formula C15H14BrNOS2 and a molecular weight of 368.32 g/mol. Its IUPAC name is (2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.

Molecular Properties

Compound Name(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
PubChem CID80745438
Molecular FormulaC15H14BrNOS2
Molecular Weight368.32 g/mol
Exact Mass366.97
IUPAC Name(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
SMILESCCOc1ccc(C(N)c2cc3sccc3s2)c(Br)c1
InChIInChI=1S/C15H14BrNOS2/c1-2-18-9-3-4-10(11(16)7-9)15(17)14-8-13-12(20-14)5-6-19-13/h3-8,15H,2,17H2,1H3
InChIKeyPURGHLMYVGCZNK-UHFFFAOYSA-N
XLogP5.17
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.32
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromo-4-methoxyphenyl)-chloromethyl]thieno[3,2-b]thiophene
CID 80745520
(4-bromo-2,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80745335
(4-bromo-3-chloro-2-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 106764406
2-ethoxy-1-thieno[3,2-b]thiophen-5-ylethanamine
CID 105008209
(2-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 115795113
(3-bromo-4-chlorophenyl)-(2-bromo-4-ethoxyphenyl)methanamine
CID 107998834
(2-bromo-4-ethoxyphenyl)-(2-fluoro-3-methylphenyl)methanamine
CID 81477237
(2-bromo-4-methoxyphenyl)-(3-bromothiophen-2-yl)methanamine
CID 63797566
(2,5-difluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733937
(3-bromo-4-fluorophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80744859
(5-ethoxy-3-pyridinyl)-thieno[3,2-b]thiophen-5-ylmethanol
CID 115829098
3-(4-methoxyphenyl)-1-thieno[3,2-b]thiophen-5-ylpropan-1-amine
CID 115864800

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The IUPAC name of (2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine (CID 80745438) is (2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine.
What is the SMILES notation for (2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The canonical SMILES for (2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is CCOc1ccc(C(N)c2cc3sccc3s2)c(Br)c1.
What is the InChIKey of (2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
The InChIKey is PURGHLMYVGCZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNOS2/c1-2-18-9-3-4-10(11(16)7-9)15(17)14-8-13-12(20-14)5-6-19-13/h3-8,15H,2,17H2,1H3.
What are the key properties of (2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine?
(2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine has a molecular weight of 368.32 g/mol, XLogP of 5.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-ethoxyphenyl)-thieno[3,2-b]thiophen-5-ylmethanamine is sourced from PubChem (CID 80745438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).