1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine

C15H25NO2S — CID 105168322

IUPAC1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine
SMILESCCCNC(CCSC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H25NO2S/c1-5-7-16-15(6-8-19-4)12-9-13(17-2)11-14(10-12)18-3/h9-11,15-16H,5-8H2,1-4H3
InChIKeyLNUFQEXTAXSKQC-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.50
Rot. Bonds9

About 1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine

1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine (PubChem CID 105168322) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine
PubChem CID105168322
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine
SMILESCCCNC(CCSC)c1cc(OC)cc(OC)c1
InChIInChI=1S/C15H25NO2S/c1-5-7-16-15(6-8-19-4)12-9-13(17-2)11-14(10-12)18-3/h9-11,15-16H,5-8H2,1-4H3
InChIKeyLNUFQEXTAXSKQC-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

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Related Compounds

1-(3-methoxyphenyl)-N-propylbutan-1-amine
CID 60797906
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylsulfanyl-N-propylpropan-1-amine
CID 107291810
3-methylsulfanyl-N-propyl-1-thiophen-3-ylpropan-1-amine
CID 105153946
N-[1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethyl]propan-1-amine
CID 61078742
1-(1-ethylpyrazol-4-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105108864
1-(2-methylquinolin-6-yl)-3-methylsulfanyl-N-propylpropan-1-amine
CID 105172233
1-(5-methoxy-3-pyridinyl)-N-propylhexan-1-amine
CID 105026088
1-(4-methoxyphenyl)-N-(2-methylsulfanylethyl)propan-1-amine
CID 60697408
[1-(3,5-dimethoxyphenyl)-2-propylsulfanylethyl]hydrazine
CID 105225838
3-ethyl-1-(3-methoxyphenyl)-N-propylheptan-1-amine
CID 63414016
1-(4-methoxyphenyl)-5-methyl-N-propylhexan-1-amine
CID 83161012
1-(4-methoxyphenyl)-4,4-dimethyl-N-propylpentan-1-amine
CID 63414142

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine (CID 105168322) is 1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine is CCCNC(CCSC)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine?
The InChIKey is LNUFQEXTAXSKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-5-7-16-15(6-8-19-4)12-9-13(17-2)11-14(10-12)18-3/h9-11,15-16H,5-8H2,1-4H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine?
1-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine 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-(3,5-dimethoxyphenyl)-3-methylsulfanyl-N-propylpropan-1-amine is sourced from PubChem (CID 105168322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).