2-(ethoxymethylsulfinyl)-5-methylaniline

C10H15NO2S — CID 81181343

IUPAC2-(ethoxymethylsulfinyl)-5-methylaniline
SMILESCCOCS(=O)c1ccc(C)cc1N
InChIInChI=1S/C10H15NO2S/c1-3-13-7-14(12)10-5-4-8(2)6-9(10)11/h4-6H,3,7,11H2,1-2H3
InChIKeyIEMYJAMPJJAVGG-UHFFFAOYSA-N
MW213.30 g/mol
LogP1.68
Rot. Bonds4

About 2-(ethoxymethylsulfinyl)-5-methylaniline

2-(ethoxymethylsulfinyl)-5-methylaniline (PubChem CID 81181343) has the molecular formula C10H15NO2S and a molecular weight of 213.30 g/mol. Its IUPAC name is 2-(ethoxymethylsulfinyl)-5-methylaniline.

Molecular Properties

Compound Name2-(ethoxymethylsulfinyl)-5-methylaniline
PubChem CID81181343
Molecular FormulaC10H15NO2S
Molecular Weight213.30 g/mol
Exact Mass213.08
IUPAC Name2-(ethoxymethylsulfinyl)-5-methylaniline
SMILESCCOCS(=O)c1ccc(C)cc1N
InChIInChI=1S/C10H15NO2S/c1-3-13-7-14(12)10-5-4-8(2)6-9(10)11/h4-6H,3,7,11H2,1-2H3
InChIKeyIEMYJAMPJJAVGG-UHFFFAOYSA-N
XLogP1.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide
CID 81181058
2-[(2-methoxy-5-methylphenyl)methylsulfinyl]-5-methylaniline
CID 81181331
2-[(2-chloro-4-methylphenyl)methylsulfinyl]-5-methylaniline
CID 106870995
2-[2-(4-bromophenoxy)ethylsulfinyl]-5-methylaniline
CID 81181151
3-[(2-amino-4-methylphenyl)sulfinylmethyl]phenol
CID 81180617
2-(2-amino-4-methylphenyl)sulfinyl-N-pentan-2-ylacetamide
CID 81180529
2-(2-amino-4-methylphenyl)sulfinyl-N-phenylacetamide
CID 81181244
5-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfinyl]aniline
CID 81181147
2-(2-ethoxyethylsulfinyl)-5-(trifluoromethyl)aniline
CID 81174929
2-[(2-fluoro-3-methoxyphenyl)methylsulfinyl]-5-methylaniline
CID 104795741
2-(ethoxymethoxy)-4-methylaniline
CID 65365090
2-[(2-amino-4-methylphenyl)sulfinylmethyl]benzonitrile
CID 81180697

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethylsulfinyl)-5-methylaniline?
The IUPAC name of 2-(ethoxymethylsulfinyl)-5-methylaniline (CID 81181343) is 2-(ethoxymethylsulfinyl)-5-methylaniline.
What is the SMILES notation for 2-(ethoxymethylsulfinyl)-5-methylaniline?
The canonical SMILES for 2-(ethoxymethylsulfinyl)-5-methylaniline is CCOCS(=O)c1ccc(C)cc1N.
What is the InChIKey of 2-(ethoxymethylsulfinyl)-5-methylaniline?
The InChIKey is IEMYJAMPJJAVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2S/c1-3-13-7-14(12)10-5-4-8(2)6-9(10)11/h4-6H,3,7,11H2,1-2H3.
What are the key properties of 2-(ethoxymethylsulfinyl)-5-methylaniline?
2-(ethoxymethylsulfinyl)-5-methylaniline has a molecular weight of 213.30 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethylsulfinyl)-5-methylaniline is sourced from PubChem (CID 81181343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).