5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline

C13H21NO2S — CID 134890423

IUPAC5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline
SMILESCOCC(SC(C)C)c1ccc(OC)cc1N
InChIInChI=1S/C13H21NO2S/c1-9(2)17-13(8-15-3)11-6-5-10(16-4)7-12(11)14/h5-7,9,13H,8,14H2,1-4H3
InChIKeyGAIYHZBWXHUPQG-UHFFFAOYSA-N
MW255.38 g/mol
LogP3.11
Rot. Bonds6

About 5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline

5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline (PubChem CID 134890423) has the molecular formula C13H21NO2S and a molecular weight of 255.38 g/mol. Its IUPAC name is 5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline.

Molecular Properties

Compound Name5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline
PubChem CID134890423
Molecular FormulaC13H21NO2S
Molecular Weight255.38 g/mol
Exact Mass255.13
IUPAC Name5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline
SMILESCOCC(SC(C)C)c1ccc(OC)cc1N
InChIInChI=1S/C13H21NO2S/c1-9(2)17-13(8-15-3)11-6-5-10(16-4)7-12(11)14/h5-7,9,13H,8,14H2,1-4H3
InChIKeyGAIYHZBWXHUPQG-UHFFFAOYSA-N
XLogP3.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.38
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1-iodoethyl)-5-methoxyaniline
CID 170370937
1-(2-amino-5-methoxyphenyl)-2-methylpropan-1-ol
CID 105449197
1-[1-(2-amino-4-methoxyphenyl)ethyl]cyclohexan-1-ol
CID 141346748
1-amino-1-(2-amino-5-methoxyphenyl)propan-2-ol
CID 130000045
3-(2-amino-4-methoxyphenyl)-2,3-dihydroxypropanamide
CID 171868281
ethyl 2-(2-amino-5-methoxyphenyl)propanoate
CID 106987688
(2-amino-4-methoxyphenyl)-cyclohexylmethanol
CID 105496696
2-(difluoromethyl)-4-methoxyaniline
CID 45091134
(2-amino-4-methoxyphenyl) thiohypochlorite
CID 87575480
3-methoxy-1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 65313094
1-(2-amino-5-methoxyphenyl)butan-1-ol
CID 112541122
2-(2-amino-5-methoxyphenyl)propanenitrile
CID 10464838

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline?
The IUPAC name of 5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline (CID 134890423) is 5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline.
What is the SMILES notation for 5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline?
The canonical SMILES for 5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline is COCC(SC(C)C)c1ccc(OC)cc1N.
What is the InChIKey of 5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline?
The InChIKey is GAIYHZBWXHUPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2S/c1-9(2)17-13(8-15-3)11-6-5-10(16-4)7-12(11)14/h5-7,9,13H,8,14H2,1-4H3.
What are the key properties of 5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline?
5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline has a molecular weight of 255.38 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(2-methoxy-1-propan-2-ylsulfanylethyl)aniline is sourced from PubChem (CID 134890423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).