3-methoxy-4-(2-methoxyethylsulfanyl)aniline

C10H15NO2S — CID 79822502

IUPAC3-methoxy-4-(2-methoxyethylsulfanyl)aniline
SMILESCOCCSc1ccc(N)cc1OC
InChIInChI=1S/C10H15NO2S/c1-12-5-6-14-10-4-3-8(11)7-9(10)13-2/h3-4,7H,5-6,11H2,1-2H3
InChIKeyICUZMAGNAWUYJE-UHFFFAOYSA-N
MW213.30 g/mol
LogP2.02
Rot. Bonds5

About 3-methoxy-4-(2-methoxyethylsulfanyl)aniline

3-methoxy-4-(2-methoxyethylsulfanyl)aniline (PubChem CID 79822502) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 3-methoxy-4-(2-methoxyethylsulfanyl)aniline.

Molecular Properties

Compound Name3-methoxy-4-(2-methoxyethylsulfanyl)aniline
PubChem CID79822502
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name3-methoxy-4-(2-methoxyethylsulfanyl)aniline
SMILESCOCCSc1ccc(N)cc1OC
InChIInChI=1S/C10H15NO2S/c1-12-5-6-14-10-4-3-8(11)7-9(10)13-2/h3-4,7H,5-6,11H2,1-2H3
InChIKeyICUZMAGNAWUYJE-UHFFFAOYSA-N
XLogP2.02
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 106453405
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CID 79829813
4-hexylsulfanyl-3-methoxyaniline
CID 79830446
4-[2-(2-fluorophenyl)sulfanylethylsulfanyl]-3-methoxyaniline
CID 79830533
5-amino-2-(2-methoxyethylsulfanyl)benzamide
CID 61306151
1-[2-(4-amino-2-methoxyphenyl)sulfanylethyl]pyrrolidine-2,5-dione
CID 79823482
3-(4-amino-2-methoxyphenyl)sulfanylpropane-1,2-diol
CID 82849724
4-(4-amino-2-methoxyphenyl)sulfanyl-N,N-dimethylbutanamide
CID 79830452
3-methoxy-4-[(2,4,6-trimethylphenyl)methylsulfanyl]aniline
CID 79830804
3-methoxy-4-(2-methylidenebutylsulfanyl)aniline
CID 79830261
3-methoxy-4-[2-(oxolan-2-yl)ethylsulfanyl]aniline
CID 79830443

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-methoxyethylsulfanyl)aniline?
The IUPAC name of 3-methoxy-4-(2-methoxyethylsulfanyl)aniline (CID 79822502) is 3-methoxy-4-(2-methoxyethylsulfanyl)aniline.
What is the SMILES notation for 3-methoxy-4-(2-methoxyethylsulfanyl)aniline?
The canonical SMILES for 3-methoxy-4-(2-methoxyethylsulfanyl)aniline is COCCSc1ccc(N)cc1OC.
What is the InChIKey of 3-methoxy-4-(2-methoxyethylsulfanyl)aniline?
The InChIKey is ICUZMAGNAWUYJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-12-5-6-14-10-4-3-8(11)7-9(10)13-2/h3-4,7H,5-6,11H2,1-2H3.
What are the key properties of 3-methoxy-4-(2-methoxyethylsulfanyl)aniline?
3-methoxy-4-(2-methoxyethylsulfanyl)aniline has a molecular weight of 213.30 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-methoxyethylsulfanyl)aniline is sourced from PubChem (CID 79822502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).