2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline

C16H20N2O2S — CID 14382551

IUPAC2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline
SMILESNc1ccccc1OCCSCCOc1ccccc1N
InChIInChI=1S/C16H20N2O2S/c17-13-5-1-3-7-15(13)19-9-11-21-12-10-20-16-8-4-2-6-14(16)18/h1-8H,9-12,17-18H2
InChIKeyJDIBNBBIHUXRMC-UHFFFAOYSA-N
MW304.42 g/mol
LogP3.04
Rot. Bonds8

About 2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline

2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline (PubChem CID 14382551) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is 2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline.

Molecular Properties

Compound Name2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline
PubChem CID14382551
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC Name2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline
SMILESNc1ccccc1OCCSCCOc1ccccc1N
InChIInChI=1S/C16H20N2O2S/c17-13-5-1-3-7-15(13)19-9-11-21-12-10-20-16-8-4-2-6-14(16)18/h1-8H,9-12,17-18H2
InChIKeyJDIBNBBIHUXRMC-UHFFFAOYSA-N
XLogP3.04
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline?
The IUPAC name of 2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline (CID 14382551) is 2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline.
What is the SMILES notation for 2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline?
The canonical SMILES for 2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline is Nc1ccccc1OCCSCCOc1ccccc1N.
What is the InChIKey of 2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline?
The InChIKey is JDIBNBBIHUXRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c17-13-5-1-3-7-15(13)19-9-11-21-12-10-20-16-8-4-2-6-14(16)18/h1-8H,9-12,17-18H2.
What are the key properties of 2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline?
2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline has a molecular weight of 304.42 g/mol, XLogP of 3.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminophenoxy)ethylsulfanyl]ethoxy]aniline is sourced from PubChem (CID 14382551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).