1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine

C11H17NOS — CID 43446173

IUPAC1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine
SMILESCOCCSc1ccc(C(C)N)cc1
InChIInChI=1S/C11H17NOS/c1-9(12)10-3-5-11(6-4-10)14-8-7-13-2/h3-6,9H,7-8,12H2,1-2H3
InChIKeyILSISFPAOKEPMC-UHFFFAOYSA-N
MW211.33 g/mol
LogP2.44
Rot. Bonds5

About 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine

1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine (PubChem CID 43446173) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine
PubChem CID43446173
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine
SMILESCOCCSc1ccc(C(C)N)cc1
InChIInChI=1S/C11H17NOS/c1-9(12)10-3-5-11(6-4-10)14-8-7-13-2/h3-6,9H,7-8,12H2,1-2H3
InChIKeyILSISFPAOKEPMC-UHFFFAOYSA-N
XLogP2.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine?
The IUPAC name of 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine (CID 43446173) is 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine is COCCSc1ccc(C(C)N)cc1.
What is the InChIKey of 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine?
The InChIKey is ILSISFPAOKEPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NOS/c1-9(12)10-3-5-11(6-4-10)14-8-7-13-2/h3-6,9H,7-8,12H2,1-2H3.
What are the key properties of 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine?
1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine has a molecular weight of 211.33 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyethylsulfanyl)phenyl]ethanamine is sourced from PubChem (CID 43446173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).