1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine

C16H27NO2S — CID 115725643

IUPAC1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine
SMILESCCSCC(C)NC(CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO2S/c1-6-14(17-12(3)11-20-7-2)13-8-9-15(18-4)16(10-13)19-5/h8-10,12,14,17H,6-7,11H2,1-5H3
InChIKeyDAZLLRYGZUCMIB-UHFFFAOYSA-N
MW297.46 g/mol
LogP3.89
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine

1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine (PubChem CID 115725643) has the molecular formula C16H27NO2S and a molecular weight of 297.46 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine
PubChem CID115725643
Molecular FormulaC16H27NO2S
Molecular Weight297.46 g/mol
Exact Mass297.18
IUPAC Name1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine
SMILESCCSCC(C)NC(CC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H27NO2S/c1-6-14(17-12(3)11-20-7-2)13-8-9-15(18-4)16(10-13)19-5/h8-10,12,14,17H,6-7,11H2,1-5H3
InChIKeyDAZLLRYGZUCMIB-UHFFFAOYSA-N
XLogP3.89
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-ethylphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine
CID 113499014
1-(3,4-dimethoxyphenyl)-N-ethylpropan-1-amine
CID 43200497
1-(3,4-dimethoxyphenyl)-N-methyl-2-(2-methylbutylsulfanyl)ethanamine
CID 107763776
1-(3,4-dimethoxyphenyl)-N-(2-methoxypropyl)propan-1-amine
CID 102696299
3-[1-(3,4-dimethoxyphenyl)propylamino]-2-methylsulfanylbutan-1-ol
CID 103785137
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
CID 43200540
2-ethylsulfanyl-1-(3-fluoro-4-methoxyphenyl)-N-methylethanamine
CID 65127588
1-(3,4-dimethoxyphenyl)-N-propan-2-ylpentan-1-amine
CID 79411882
2-[1-(3,4-dimethoxyphenyl)propylamino]-N-ethylpropanamide
CID 43574152
1-(3,4-dimethoxyphenyl)-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81391321
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
1-(3,4-dimethoxyphenyl)-N-(2-methoxyethyl)propan-1-amine
CID 43200660

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine (CID 115725643) is 1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine is CCSCC(C)NC(CC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine?
The InChIKey is DAZLLRYGZUCMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2S/c1-6-14(17-12(3)11-20-7-2)13-8-9-15(18-4)16(10-13)19-5/h8-10,12,14,17H,6-7,11H2,1-5H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine?
1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine has a molecular weight of 297.46 g/mol, XLogP of 3.89, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-N-(1-ethylsulfanylpropan-2-yl)propan-1-amine is sourced from PubChem (CID 115725643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).