4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline

C14H23NO3S — CID 106459972

IUPAC4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline
SMILESCCOc1ccc(N)c(S(=O)CCOCC(C)C)c1
InChIInChI=1S/C14H23NO3S/c1-4-18-12-5-6-13(15)14(9-12)19(16)8-7-17-10-11(2)3/h5-6,9,11H,4,7-8,10,15H2,1-3H3
InChIKeySCGLFXUPVOSXCO-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.45
Rot. Bonds8

About 4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline

4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline (PubChem CID 106459972) has the molecular formula C14H23NO3S and a molecular weight of 285.41 g/mol. Its IUPAC name is 4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline.

Molecular Properties

Compound Name4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline
PubChem CID106459972
Molecular FormulaC14H23NO3S
Molecular Weight285.41 g/mol
Exact Mass285.14
IUPAC Name4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline
SMILESCCOc1ccc(N)c(S(=O)CCOCC(C)C)c1
InChIInChI=1S/C14H23NO3S/c1-4-18-12-5-6-13(15)14(9-12)19(16)8-7-17-10-11(2)3/h5-6,9,11H,4,7-8,10,15H2,1-3H3
InChIKeySCGLFXUPVOSXCO-UHFFFAOYSA-N
XLogP2.45
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.45
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

4-ethoxy-2-(2-methoxyethylsulfinyl)aniline
CID 81176021
4-ethoxy-2-(2-methylpropylsulfinyl)aniline
CID 81175032
4-ethoxy-2-(3-fluoropropylsulfinyl)aniline
CID 81174804
4-ethoxy-2-(3-ethylsulfonylpropylsulfinyl)aniline
CID 81175653
4-methyl-3-[2-(2-methylpropoxy)ethylsulfinyl]aniline
CID 106460020
2-chloro-4-[2-(2-methylpropoxy)ethylsulfinyl]aniline
CID 106460069
4-ethoxy-2-[(5-methyloxolan-2-yl)methylsulfinyl]aniline
CID 103143105
2-[(5-bromothiophen-2-yl)methylsulfinyl]-4-ethoxyaniline
CID 81175780
4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline
CID 104568938
2-[2-(3-bromophenoxy)ethylsulfinyl]-4-methoxyaniline
CID 81201014
2-[(3-bromothiophen-2-yl)methylsulfinyl]-4-ethoxyaniline
CID 81176414
2-butoxy-4-(2-methylpropoxy)aniline
CID 155920753

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline?
The IUPAC name of 4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline (CID 106459972) is 4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline.
What is the SMILES notation for 4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline?
The canonical SMILES for 4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline is CCOc1ccc(N)c(S(=O)CCOCC(C)C)c1.
What is the InChIKey of 4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline?
The InChIKey is SCGLFXUPVOSXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO3S/c1-4-18-12-5-6-13(15)14(9-12)19(16)8-7-17-10-11(2)3/h5-6,9,11H,4,7-8,10,15H2,1-3H3.
What are the key properties of 4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline?
4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline has a molecular weight of 285.41 g/mol, XLogP of 2.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline is sourced from PubChem (CID 106459972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).