2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine

C10H18N2O2S — CID 66385794

IUPAC2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine
SMILESCOCCOCCNCc1sccc1N
InChIInChI=1S/C10H18N2O2S/c1-13-5-6-14-4-3-12-8-10-9(11)2-7-15-10/h2,7,12H,3-6,8,11H2,1H3
InChIKeyOPJWAIWIUGXRIG-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.08
Rot. Bonds8

About 2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine

2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine (PubChem CID 66385794) has the molecular formula C10H18N2O2S and a molecular weight of 230.33 g/mol. Its IUPAC name is 2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine.

Molecular Properties

Compound Name2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine
PubChem CID66385794
Molecular FormulaC10H18N2O2S
Molecular Weight230.33 g/mol
Exact Mass230.11
IUPAC Name2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine
SMILESCOCCOCCNCc1sccc1N
InChIInChI=1S/C10H18N2O2S/c1-13-5-6-14-4-3-12-8-10-9(11)2-7-15-10/h2,7,12H,3-6,8,11H2,1H3
InChIKeyOPJWAIWIUGXRIG-UHFFFAOYSA-N
XLogP1.08
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
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 2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine?
The IUPAC name of 2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine (CID 66385794) is 2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine.
What is the SMILES notation for 2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine?
The canonical SMILES for 2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine is COCCOCCNCc1sccc1N.
What is the InChIKey of 2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine?
The InChIKey is OPJWAIWIUGXRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2S/c1-13-5-6-14-4-3-12-8-10-9(11)2-7-15-10/h2,7,12H,3-6,8,11H2,1H3.
What are the key properties of 2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine?
2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine has a molecular weight of 230.33 g/mol, XLogP of 1.08, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyethoxy)ethylamino]methyl]thiophen-3-amine is sourced from PubChem (CID 66385794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).