3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine

C15H21NO2S2 — CID 43433722

IUPAC3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCOCCOCCCNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C15H21NO2S2/c1-17-7-8-18-6-3-5-16-11-14-10-13(12-20-14)15-4-2-9-19-15/h2,4,9-10,12,16H,3,5-8,11H2,1H3
InChIKeyWIYHFYWQQIQLMV-UHFFFAOYSA-N
MW311.47 g/mol
LogP3.62
Rot. Bonds10

About 3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine

3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 43433722) has the molecular formula C15H21NO2S2 and a molecular weight of 311.47 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
PubChem CID43433722
Molecular FormulaC15H21NO2S2
Molecular Weight311.47 g/mol
Exact Mass311.10
IUPAC Name3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCOCCOCCCNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C15H21NO2S2/c1-17-7-8-18-6-3-5-16-11-14-10-13(12-20-14)15-4-2-9-19-15/h2,4,9-10,12,16H,3,5-8,11H2,1H3
InChIKeyWIYHFYWQQIQLMV-UHFFFAOYSA-N
XLogP3.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (CID 43433722) is 3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is COCCOCCCNCc1cc(-c2cccs2)cs1.
What is the InChIKey of 3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is WIYHFYWQQIQLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2S2/c1-17-7-8-18-6-3-5-16-11-14-10-13(12-20-14)15-4-2-9-19-15/h2,4,9-10,12,16H,3,5-8,11H2,1H3.
What are the key properties of 3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 311.47 g/mol, XLogP of 3.62, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43433722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).