N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine

C15H25NO2S — CID 64613261

IUPACN-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(CSCCOC)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NO2S/c1-5-16-14(11-19-9-8-17-3)13-10-12(2)6-7-15(13)18-4/h6-7,10,14,16H,5,8-9,11H2,1-4H3
InChIKeyXYDVLQLOWAPTKG-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.03
Rot. Bonds9

About N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine

N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine (PubChem CID 64613261) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
PubChem CID64613261
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC NameN-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
SMILESCCNC(CSCCOC)c1cc(C)ccc1OC
InChIInChI=1S/C15H25NO2S/c1-5-16-14(11-19-9-8-17-3)13-10-12(2)6-7-15(13)18-4/h6-7,10,14,16H,5,8-9,11H2,1-4H3
InChIKeyXYDVLQLOWAPTKG-UHFFFAOYSA-N
XLogP3.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.03
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-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 64614931
N-ethyl-3-(2-methoxyethoxy)-1-(2-methoxy-5-methylphenyl)propan-1-amine
CID 102928464
N-ethyl-1-(2-methoxy-5-methylphenyl)-4-methylpentan-1-amine
CID 43626298
N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-(3-methoxypropyl)-N'-methylethane-1,2-diamine
CID 62983603
N-ethyl-1-(2-methoxy-5-methylphenyl)-3-methylpentan-1-amine
CID 114874388
1-(2-methoxy-5-methylphenyl)-N-methyl-2-(2-methylpropylsulfanyl)ethanamine
CID 64610705
1-(2,5-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614076
methyl 3-[2-(2-methoxy-5-methylphenyl)-2-(methylamino)ethyl]sulfanylpropanoate
CID 64612897
N'-(2-ethoxyethyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 81035993
3-methoxy-1-(2-methoxy-5-methylphenyl)-N-methylpropan-1-amine
CID 62797159
2-(4-chlorophenyl)-N-ethyl-1-(2-methoxy-5-methylphenyl)ethanamine
CID 43626354
N-ethyl-2-(4-iodophenyl)-1-(2-methoxy-5-methylphenyl)ethanamine
CID 115864174

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The IUPAC name of N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine (CID 64613261) is N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine.
What is the SMILES notation for N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The canonical SMILES for N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine is CCNC(CSCCOC)c1cc(C)ccc1OC.
What is the InChIKey of N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
The InChIKey is XYDVLQLOWAPTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-16-14(11-19-9-8-17-3)13-10-12(2)6-7-15(13)18-4/h6-7,10,14,16H,5,8-9,11H2,1-4H3.
What are the key properties of N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine?
N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 3.03, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2-methoxyethylsulfanyl)-1-(2-methoxy-5-methylphenyl)ethanamine is sourced from PubChem (CID 64613261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).