2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine

C8H19NO2S — CID 66219333

IUPAC2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine
SMILESCOCCOCCSC(C)CN
InChIInChI=1S/C8H19NO2S/c1-8(7-9)12-6-5-11-4-3-10-2/h8H,3-7,9H2,1-2H3
InChIKeyMHYLPAJETUZXBP-UHFFFAOYSA-N
MW193.31 g/mol
LogP0.73
Rot. Bonds8

About 2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine

2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine (PubChem CID 66219333) has the molecular formula C8H19NO2S and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine
PubChem CID66219333
Molecular FormulaC8H19NO2S
Molecular Weight193.31 g/mol
Exact Mass193.11
IUPAC Name2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine
SMILESCOCCOCCSC(C)CN
InChIInChI=1S/C8H19NO2S/c1-8(7-9)12-6-5-11-4-3-10-2/h8H,3-7,9H2,1-2H3
InChIKeyMHYLPAJETUZXBP-UHFFFAOYSA-N
XLogP0.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 50.73
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

3-[2-(2-methoxyethoxy)ethylsulfanyl]butan-1-amine
CID 66228363
2-[2-(1-aminopropan-2-ylsulfanyl)ethoxy]ethanol
CID 66217893
2-[2-(3-methylbutoxy)ethylsulfanyl]propan-1-amine
CID 66219609
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfanyl]butan-1-ol
CID 104565085
(2S)-2-[2-(2-methoxyethoxy)ethoxy]propan-1-amine
CID 102416894
1-methoxy-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyldisulfanyl]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethane
CID 102414986
2-[2-(4-methoxyphenoxy)ethylsulfanyl]propan-1-amine
CID 66218381
1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 87439194
1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane
CID 8189
1,2-dimethoxyethane;1-methoxy-2-(2-methoxyethoxy)ethane;1-methoxy-2-[2-(2-methoxyethoxy)ethoxy]ethane;1-methoxy-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethane
CID 159847962
2-[2-(4-bromophenoxy)ethylsulfanyl]propan-1-amine
CID 66243938
1-[1-[2-(2-methoxyethoxy)ethylsulfanyl]propan-2-ylsulfanyl]propane-2-thiolate
CID 155648006

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine (CID 66219333) is 2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine is COCCOCCSC(C)CN.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine?
The InChIKey is MHYLPAJETUZXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO2S/c1-8(7-9)12-6-5-11-4-3-10-2/h8H,3-7,9H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine?
2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine has a molecular weight of 193.31 g/mol, XLogP of 0.73, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethylsulfanyl]propan-1-amine is sourced from PubChem (CID 66219333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).