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

C14H19NOS2 — CID 43433602

IUPAC3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCCOCCCNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C14H19NOS2/c1-2-16-7-4-6-15-10-13-9-12(11-18-13)14-5-3-8-17-14/h3,5,8-9,11,15H,2,4,6-7,10H2,1H3
InChIKeyVDRPUFDZTFFAGW-UHFFFAOYSA-N
MW281.45 g/mol
LogP3.99
Rot. Bonds8

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

3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (PubChem CID 43433602) has the molecular formula C14H19NOS2 and a molecular weight of 281.45 g/mol. Its IUPAC name is 3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
PubChem CID43433602
Molecular FormulaC14H19NOS2
Molecular Weight281.45 g/mol
Exact Mass281.09
IUPAC Name3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine
SMILESCCOCCCNCc1cc(-c2cccs2)cs1
InChIInChI=1S/C14H19NOS2/c1-2-16-7-4-6-15-10-13-9-12(11-18-13)14-5-3-8-17-14/h3,5,8-9,11,15H,2,4,6-7,10H2,1H3
InChIKeyVDRPUFDZTFFAGW-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.45
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine (CID 43433602) is 3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is CCOCCCNCc1cc(-c2cccs2)cs1.
What is the InChIKey of 3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
The InChIKey is VDRPUFDZTFFAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NOS2/c1-2-16-7-4-6-15-10-13-9-12(11-18-13)14-5-3-8-17-14/h3,5,8-9,11,15H,2,4,6-7,10H2,1H3.
What are the key properties of 3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine?
3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine has a molecular weight of 281.45 g/mol, XLogP of 3.99, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[(4-thiophen-2-ylthiophen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 43433602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).