N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine

C16H16BrNS2 — CID 80733803

IUPACN-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cc2sccc2s1
InChIInChI=1S/C16H16BrNS2/c1-2-8-18-16(11-3-5-12(17)6-4-11)15-10-14-13(20-15)7-9-19-14/h3-7,9-10,16,18H,2,8H2,1H3
InChIKeyDMSAYDXOZXYHCY-UHFFFAOYSA-N
MW366.35 g/mol
LogP5.81
Rot. Bonds5

About N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine

N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine (PubChem CID 80733803) has the molecular formula C16H16BrNS2 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
PubChem CID80733803
Molecular FormulaC16H16BrNS2
Molecular Weight366.35 g/mol
Exact Mass364.99
IUPAC NameN-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
SMILESCCCNC(c1ccc(Br)cc1)c1cc2sccc2s1
InChIInChI=1S/C16H16BrNS2/c1-2-8-18-16(11-3-5-12(17)6-4-11)15-10-14-13(20-15)7-9-19-14/h3-7,9-10,16,18H,2,8H2,1H3
InChIKeyDMSAYDXOZXYHCY-UHFFFAOYSA-N
XLogP5.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.35
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[(4-bromophenyl)-thiophen-2-ylmethyl]propan-1-amine
CID 43494486
N-[(3,4-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80734490
N-[cyclopenten-1-yl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 80733814
N-[(2-fluoro-5-methylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 115852659
N-[(3-methyltriazol-4-yl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine
CID 105043457
(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethanamine
CID 80733537
N-[(4-bromophenyl)-(3,5-dibromophenyl)methyl]propan-1-amine
CID 107979789
N-[cycloheptyl(thieno[3,2-b]thiophen-5-yl)methyl]propan-1-amine
CID 105027664
N-[(4-fluoro-3,5-dimethylphenyl)-thieno[3,2-b]thiophen-5-ylmethyl]ethanamine
CID 80733605

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The IUPAC name of N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine (CID 80733803) is N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine.
What is the SMILES notation for N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The canonical SMILES for N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine is CCCNC(c1ccc(Br)cc1)c1cc2sccc2s1.
What is the InChIKey of N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
The InChIKey is DMSAYDXOZXYHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrNS2/c1-2-8-18-16(11-3-5-12(17)6-4-11)15-10-14-13(20-15)7-9-19-14/h3-7,9-10,16,18H,2,8H2,1H3.
What are the key properties of N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine?
N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine has a molecular weight of 366.35 g/mol, XLogP of 5.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)-thieno[3,2-b]thiophen-5-ylmethyl]propan-1-amine is sourced from PubChem (CID 80733803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).