2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine

C11H17NO2S — CID 105484979

IUPAC2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine
SMILESCOc1ccc(SCC(CN)OC)cc1
InChIInChI=1S/C11H17NO2S/c1-13-9-3-5-11(6-4-9)15-8-10(7-12)14-2/h3-6,10H,7-8,12H2,1-2H3
InChIKeyUFRJEXJIFFWTEM-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.76
Rot. Bonds6

About 2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine

2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine (PubChem CID 105484979) has the molecular formula C11H17NO2S and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine
PubChem CID105484979
Molecular FormulaC11H17NO2S
Molecular Weight227.33 g/mol
Exact Mass227.10
IUPAC Name2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine
SMILESCOc1ccc(SCC(CN)OC)cc1
InChIInChI=1S/C11H17NO2S/c1-13-9-3-5-11(6-4-9)15-8-10(7-12)14-2/h3-6,10H,7-8,12H2,1-2H3
InChIKeyUFRJEXJIFFWTEM-UHFFFAOYSA-N
XLogP1.76
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methoxyphenyl)-3-methylsulfanylpropan-1-amine
CID 117245021
2-ethoxy-3-(4-methylphenyl)sulfanylpropan-1-amine
CID 63070071
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
2-(4-methoxyphenyl)sulfanyl-1-(2,4,6-trimethylphenyl)ethanamine
CID 64622083
3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine
CID 63069685
2-ethoxy-3-(4-fluorophenyl)sulfanylpropan-1-amine
CID 63070443
1-chloro-4-[2-methoxy-3-(4-propan-2-ylphenoxy)propyl]sulfanylbenzene
CID 155719019
1-chloro-4-[2-methoxy-3-(4-methylphenoxy)propyl]sulfanylbenzene;ethane
CID 155718948
2-(4-chlorophenyl)sulfanyl-2-(4-methoxyphenyl)ethanamine
CID 55015675
1-(4-methoxyphenyl)ethane-1,2-diamine;hydrochloride
CID 70626122
1-(4-methoxyphenyl)sulfanyl-3-phenoxypropane-2-thiol
CID 102274007
propan-2-yl 2-(4-methoxyphenyl)sulfanylacetate
CID 60704324

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine?
The IUPAC name of 2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine (CID 105484979) is 2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine.
What is the SMILES notation for 2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine?
The canonical SMILES for 2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine is COc1ccc(SCC(CN)OC)cc1.
What is the InChIKey of 2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine?
The InChIKey is UFRJEXJIFFWTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2S/c1-13-9-3-5-11(6-4-9)15-8-10(7-12)14-2/h3-6,10H,7-8,12H2,1-2H3.
What are the key properties of 2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine?
2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine has a molecular weight of 227.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-methoxyphenyl)sulfanylpropan-1-amine is sourced from PubChem (CID 105484979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).