2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine

C15H25NO2S — CID 64613252

IUPAC2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(CSCCOC)NC)cc1
InChIInChI=1S/C15H25NO2S/c1-4-9-18-14-7-5-13(6-8-14)15(16-2)12-19-11-10-17-3/h5-8,15-16H,4,9-12H2,1-3H3
InChIKeyLEKPFQSVKBIVNM-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.12
Rot. Bonds10

About 2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine

2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine (PubChem CID 64613252) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine.

Molecular Properties

Compound Name2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
PubChem CID64613252
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine
SMILESCCCOc1ccc(C(CSCCOC)NC)cc1
InChIInChI=1S/C15H25NO2S/c1-4-9-18-14-7-5-13(6-8-14)15(16-2)12-19-11-10-17-3/h5-8,15-16H,4,9-12H2,1-3H3
InChIKeyLEKPFQSVKBIVNM-UHFFFAOYSA-N
XLogP3.12
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.12
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

1-(4-ethylphenyl)-2-(2-methoxyethylsulfanyl)-N-methylethanamine
CID 64613258
2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64612378
N-[1-(4-ethoxyphenyl)-2-(2-methoxyethylsulfanyl)ethyl]propan-1-amine
CID 64613678
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
CID 64626660
2-butan-2-ylsulfanyl-N-methyl-1-(4-propoxyphenyl)ethanamine
CID 64613214
N-methyl-1-[4-(4-propoxyphenyl)phenyl]propan-1-amine
CID 63425079
N-methyl-1-(4-propan-2-yloxyphenyl)-2-propylsulfanylethanamine
CID 64615512
N,4-dimethyl-1-(4-propoxyphenyl)pentan-1-amine
CID 62795609
1-(4-ethoxyphenyl)-3-(2-methoxyethoxy)-N-methylpropan-1-amine
CID 102928029
N-methyl-1-(4-propoxyphenyl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanamine
CID 64619656
N-methyl-1-(4-propoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)ethanamine
CID 64627300
N-[2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethyl]propan-1-amine
CID 64610335

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine?
The IUPAC name of 2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine (CID 64613252) is 2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine.
What is the SMILES notation for 2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine?
The canonical SMILES for 2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine is CCCOc1ccc(C(CSCCOC)NC)cc1.
What is the InChIKey of 2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine?
The InChIKey is LEKPFQSVKBIVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-4-9-18-14-7-5-13(6-8-14)15(16-2)12-19-11-10-17-3/h5-8,15-16H,4,9-12H2,1-3H3.
What are the key properties of 2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine?
2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine has a molecular weight of 283.44 g/mol, XLogP of 3.12, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethylsulfanyl)-N-methyl-1-(4-propoxyphenyl)ethanamine is sourced from PubChem (CID 64613252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).