4-ethoxy-2-(2-methylpropylsulfinyl)aniline

C12H19NO2S — CID 81175032

IUPAC4-ethoxy-2-(2-methylpropylsulfinyl)aniline
SMILESCCOc1ccc(N)c(S(=O)CC(C)C)c1
InChIInChI=1S/C12H19NO2S/c1-4-15-10-5-6-11(13)12(7-10)16(14)8-9(2)3/h5-7,9H,4,8,13H2,1-3H3
InChIKeyQREPSFJCVBTJOH-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.43
Rot. Bonds5

About 4-ethoxy-2-(2-methylpropylsulfinyl)aniline

4-ethoxy-2-(2-methylpropylsulfinyl)aniline (PubChem CID 81175032) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methylpropylsulfinyl)aniline.

Molecular Properties

Compound Name4-ethoxy-2-(2-methylpropylsulfinyl)aniline
PubChem CID81175032
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC Name4-ethoxy-2-(2-methylpropylsulfinyl)aniline
SMILESCCOc1ccc(N)c(S(=O)CC(C)C)c1
InChIInChI=1S/C12H19NO2S/c1-4-15-10-5-6-11(13)12(7-10)16(14)8-9(2)3/h5-7,9H,4,8,13H2,1-3H3
InChIKeyQREPSFJCVBTJOH-UHFFFAOYSA-N
XLogP2.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.43
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

4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline
CID 106459972
4-ethoxy-2-(2-methoxyethylsulfinyl)aniline
CID 81176021
4-ethoxy-2-(3-fluoropropylsulfinyl)aniline
CID 81174804
4-bromo-2-(2-methylpropylsulfinyl)aniline
CID 81206911
4-ethoxy-2-(3-ethylsulfonylpropylsulfinyl)aniline
CID 81175653
2-[(5-bromothiophen-2-yl)methylsulfinyl]-4-ethoxyaniline
CID 81175780
2-[(3-bromothiophen-2-yl)methylsulfinyl]-4-ethoxyaniline
CID 81176414
4-ethoxy-2-[(5-methyloxolan-2-yl)methylsulfinyl]aniline
CID 103143105
4-ethoxy-2-(3-methylbutylsulfonyl)aniline
CID 81175786
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfinyl]aniline
CID 81201044
2-(2-amino-5-methoxyphenyl)sulfinylacetonitrile
CID 81207794
2-(3-fluoropropylsulfinyl)-4-methoxyaniline
CID 81207384

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(2-methylpropylsulfinyl)aniline?
The IUPAC name of 4-ethoxy-2-(2-methylpropylsulfinyl)aniline (CID 81175032) is 4-ethoxy-2-(2-methylpropylsulfinyl)aniline.
What is the SMILES notation for 4-ethoxy-2-(2-methylpropylsulfinyl)aniline?
The canonical SMILES for 4-ethoxy-2-(2-methylpropylsulfinyl)aniline is CCOc1ccc(N)c(S(=O)CC(C)C)c1.
What is the InChIKey of 4-ethoxy-2-(2-methylpropylsulfinyl)aniline?
The InChIKey is QREPSFJCVBTJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-4-15-10-5-6-11(13)12(7-10)16(14)8-9(2)3/h5-7,9H,4,8,13H2,1-3H3.
What are the key properties of 4-ethoxy-2-(2-methylpropylsulfinyl)aniline?
4-ethoxy-2-(2-methylpropylsulfinyl)aniline has a molecular weight of 241.36 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(2-methylpropylsulfinyl)aniline is sourced from PubChem (CID 81175032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).