1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine

C13H21NO2S — CID 64627665

IUPAC1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
SMILESCOCCCSCC(N)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2S/c1-15-8-3-9-17-10-13(14)11-4-6-12(16-2)7-5-11/h4-7,13H,3,8-10,14H2,1-2H3
InChIKeyARJGQXCFBZQRER-UHFFFAOYSA-N
MW255.38 g/mol
LogP2.46
Rot. Bonds8

About 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine

1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine (PubChem CID 64627665) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
PubChem CID64627665
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine
SMILESCOCCCSCC(N)c1ccc(OC)cc1
InChIInChI=1S/C13H21NO2S/c1-15-8-3-9-17-10-13(14)11-4-6-12(16-2)7-5-11/h4-7,13H,3,8-10,14H2,1-2H3
InChIKeyARJGQXCFBZQRER-UHFFFAOYSA-N
XLogP2.46
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 52.46
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-amino-2-(4-methoxyphenyl)ethyl]sulfanylethanol
CID 64612734
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylethanamine
CID 64626660
2-(2-methoxyethylsulfanyl)-1-(4-propoxyphenyl)ethanamine
CID 64612378
2-(2-methoxyethylsulfanyl)-1-(4-methylphenyl)ethanamine
CID 64609924
1-(4-methoxyphenyl)-2-(3-methoxypropoxy)ethanamine
CID 54936821
1-(4-methoxyphenyl)-2-[(4-methylphenyl)methylsulfanyl]ethanamine
CID 15908769
2-butylsulfanyl-1-(4-propan-2-ylphenyl)ethanamine
CID 64611096
2-[2-amino-2-(4-methoxyphenyl)ethyl]sulfanyl-N-ethylacetamide
CID 114234940
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)-N-methylpropan-1-amine
CID 64626669
2-(2-chlorophenyl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64619722
2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-1-(4-methoxyphenyl)ethanamine
CID 64632910

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine (CID 64627665) is 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine is COCCCSCC(N)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine?
The InChIKey is ARJGQXCFBZQRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-15-8-3-9-17-10-13(14)11-4-6-12(16-2)7-5-11/h4-7,13H,3,8-10,14H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine?
1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine has a molecular weight of 255.38 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(3-methoxypropylsulfanyl)ethanamine is sourced from PubChem (CID 64627665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).