2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine

C12H19NO2S — CID 28918450

IUPAC2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine
SMILESCCOc1ccc(OCCSCCN)cc1
InChIInChI=1S/C12H19NO2S/c1-2-14-11-3-5-12(6-4-11)15-8-10-16-9-7-13/h3-6H,2,7-10,13H2,1H3
InChIKeyYCAFVFISCYSMHB-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.16
Rot. Bonds8

About 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine

2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine (PubChem CID 28918450) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine.

Molecular Properties

Compound Name2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine
PubChem CID28918450
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine
SMILESCCOc1ccc(OCCSCCN)cc1
InChIInChI=1S/C12H19NO2S/c1-2-14-11-3-5-12(6-4-11)15-8-10-16-9-7-13/h3-6H,2,7-10,13H2,1H3
InChIKeyYCAFVFISCYSMHB-UHFFFAOYSA-N
XLogP2.16
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.16
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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Related Compounds

2-[2-(4-methylphenoxy)ethylsulfanyl]ethanamine
CID 28918398
2-[2-(3,4-dimethylphenoxy)ethylsulfanyl]ethanamine
CID 28918465
2-(2-ethoxyethylsulfanyl)ethoxybenzene
CID 112777213
2-(4-ethoxyphenoxy)ethylhydrazine
CID 94680175
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-2-methylpropanoic acid
CID 81222904
4-[2-(2-methylbutylsulfanyl)ethoxy]aniline
CID 107748817
4-(2-propylsulfanylethoxy)benzonitrile
CID 43290089
4-chloro-2-[2-(4-ethoxyphenoxy)ethylsulfanyl]aniline
CID 79525137
2-(4-ethoxyphenoxy)ethyl N'-tert-butylcarbamimidothioate
CID 8776606
[4-(3-propylsulfanylpropoxy)phenyl]methanamine
CID 43530070
1-chloro-4-[3-(4-ethoxyphenoxy)propylsulfanyl]benzene
CID 2283089
1-bromo-4-(2-pentylsulfanylethoxy)benzene
CID 107754232

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine?
The IUPAC name of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine (CID 28918450) is 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine.
What is the SMILES notation for 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine?
The canonical SMILES for 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine is CCOc1ccc(OCCSCCN)cc1.
What is the InChIKey of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine?
The InChIKey is YCAFVFISCYSMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-2-14-11-3-5-12(6-4-11)15-8-10-16-9-7-13/h3-6H,2,7-10,13H2,1H3.
What are the key properties of 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine?
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine has a molecular weight of 241.36 g/mol, XLogP of 2.16, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxyphenoxy)ethylsulfanyl]ethanamine is sourced from PubChem (CID 28918450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).