[2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine

C14H23NO3S — CID 104559840

IUPAC[2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine
SMILESCCSc1cccc(OCCOCCOC)c1CN
InChIInChI=1S/C14H23NO3S/c1-3-19-14-6-4-5-13(12(14)11-15)18-10-9-17-8-7-16-2/h4-6H,3,7-11,15H2,1-2H3
InChIKeyUJMGADNFTDSFTL-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.30
Rot. Bonds10

About [2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine

[2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine (PubChem CID 104559840) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is [2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine.

Molecular Properties

Compound Name[2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine
PubChem CID104559840
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name[2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine
SMILESCCSc1cccc(OCCOCCOC)c1CN
InChIInChI=1S/C14H23NO3S/c1-3-19-14-6-4-5-13(12(14)11-15)18-10-9-17-8-7-16-2/h4-6H,3,7-11,15H2,1-2H3
InChIKeyUJMGADNFTDSFTL-UHFFFAOYSA-N
XLogP2.30
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-ethylsulfanyl-6-(4-methylpentoxy)phenyl]methanamine
CID 113385381
[2-ethylsulfanyl-6-(2-methylpentoxy)phenyl]methanamine
CID 103282838
2-ethylsulfanyl-6-[3-(2-methoxyethoxy)propoxy]benzenecarbothioamide
CID 103402530
[2-bromo-6-[3-(2-methoxyethoxy)propoxy]phenyl]methanamine
CID 103400825
[2-chloro-6-(2-methoxyethoxy)phenyl]methanamine
CID 28965931
2-ethylsulfanyl-6-[2-(3-methoxypropoxy)ethoxy]benzonitrile
CID 103177557
[2-bromo-6-[2-(3-methoxypropoxy)ethoxy]phenyl]methanamine
CID 103176691
[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 104559788
[2-ethylsulfanyl-6-[(1-methyl-1,2,4-triazol-3-yl)oxy]phenyl]methanamine
CID 106596442
1-[2-chloro-6-[2-(2-methoxyethoxy)ethoxy]phenyl]propan-2-amine
CID 114321772
(1S)-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-amine
CID 104560938
1-chloro-2-(chloromethyl)-3-[2-(2-methoxyethoxy)ethoxy]benzene
CID 114320831

Frequently Asked Questions

What is the IUPAC name of [2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine?
The IUPAC name of [2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine (CID 104559840) is [2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine.
What is the SMILES notation for [2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine?
The canonical SMILES for [2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine is CCSc1cccc(OCCOCCOC)c1CN.
What is the InChIKey of [2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine?
The InChIKey is UJMGADNFTDSFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-3-19-14-6-4-5-13(12(14)11-15)18-10-9-17-8-7-16-2/h4-6H,3,7-11,15H2,1-2H3.
What are the key properties of [2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine?
[2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine has a molecular weight of 285.41 g/mol, XLogP of 2.30, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-ethylsulfanyl-6-[2-(2-methoxyethoxy)ethoxy]phenyl]methanamine is sourced from PubChem (CID 104559840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).