1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine

C15H25NO2S — CID 64615524

IUPAC1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
SMILESCCCSCC(NCC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO2S/c1-5-9-19-11-14(16-6-2)13-8-7-12(17-3)10-15(13)18-4/h7-8,10,14,16H,5-6,9,11H2,1-4H3
InChIKeyRCOXZFUMYZVNCF-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.50
Rot. Bonds9

About 1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine

1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine (PubChem CID 64615524) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
PubChem CID64615524
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine
SMILESCCCSCC(NCC)c1ccc(OC)cc1OC
InChIInChI=1S/C15H25NO2S/c1-5-9-19-11-14(16-6-2)13-8-7-12(17-3)10-15(13)18-4/h7-8,10,14,16H,5-6,9,11H2,1-4H3
InChIKeyRCOXZFUMYZVNCF-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
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-(2,4-dimethoxyphenyl)-N-ethyl-2-pentylsulfanylethanamine
CID 107763149
2-cyclopentylsulfanyl-1-(2,4-dimethoxyphenyl)-N-ethylethanamine
CID 64628618
[1-(2,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225815
1-(2,4-dimethoxyphenyl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 115346589
1-(2,4-dimethoxyphenyl)-N-ethyl-2-methylsulfonylethanamine
CID 55112186
1-(2,4-dimethoxyphenyl)-N-ethyl-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106927222
[1-(4-methoxy-2-methylphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225877
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65318131
(1S)-1-(2,4-dimethoxyphenyl)-N-propylpropan-1-amine
CID 93079729
1-(2,4-dimethoxyphenyl)-N-ethyl-3-(2-methoxyethoxy)propan-1-amine
CID 102928489
1-(2,4-dimethylphenyl)-N-ethyl-2-propylsulfanylethanamine
CID 64614075
1-(2,4-dimethoxyphenyl)-2-(1,3-dioxolan-2-yl)-N-ethylethanamine
CID 103546709

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine (CID 64615524) is 1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine is CCCSCC(NCC)c1ccc(OC)cc1OC.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine?
The InChIKey is RCOXZFUMYZVNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-9-19-11-14(16-6-2)13-8-7-12(17-3)10-15(13)18-4/h7-8,10,14,16H,5-6,9,11H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine?
1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine has a molecular weight of 283.44 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-N-ethyl-2-propylsulfanylethanamine is sourced from PubChem (CID 64615524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).