4-ethoxy-2-(2-methoxyethylsulfinyl)aniline

C11H17NO3S — CID 81176021

IUPAC4-ethoxy-2-(2-methoxyethylsulfinyl)aniline
SMILESCCOc1ccc(N)c(S(=O)CCOC)c1
InChIInChI=1S/C11H17NO3S/c1-3-15-9-4-5-10(12)11(8-9)16(13)7-6-14-2/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeySCVRTOXVOMNJDJ-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.42
Rot. Bonds6

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

4-ethoxy-2-(2-methoxyethylsulfinyl)aniline (PubChem CID 81176021) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-ethoxy-2-(2-methoxyethylsulfinyl)aniline.

Molecular Properties

Compound Name4-ethoxy-2-(2-methoxyethylsulfinyl)aniline
PubChem CID81176021
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-ethoxy-2-(2-methoxyethylsulfinyl)aniline
SMILESCCOc1ccc(N)c(S(=O)CCOC)c1
InChIInChI=1S/C11H17NO3S/c1-3-15-9-4-5-10(12)11(8-9)16(13)7-6-14-2/h4-5,8H,3,6-7,12H2,1-2H3
InChIKeySCVRTOXVOMNJDJ-UHFFFAOYSA-N
XLogP1.42
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.42
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

4-ethoxy-2-[2-(2-methylpropoxy)ethylsulfinyl]aniline
CID 106459972
4-ethoxy-2-(3-fluoropropylsulfinyl)aniline
CID 81174804
4-ethoxy-2-(3-ethylsulfonylpropylsulfinyl)aniline
CID 81175653
4-ethoxy-2-(2-methylpropylsulfinyl)aniline
CID 81175032
4-chloro-2-(2-methoxyethylsulfinyl)aniline
CID 81180933
4-fluoro-2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]aniline
CID 104568938
2-[2-(3-bromophenoxy)ethylsulfinyl]-4-methoxyaniline
CID 81201014
2-[2-[2-(2-methoxyethoxy)ethoxy]ethylsulfinyl]-4-methylaniline
CID 104568936
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
2-(3-fluoropropylsulfinyl)-4-methoxyaniline
CID 81207384

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-2-(2-methoxyethylsulfinyl)aniline?
The IUPAC name of 4-ethoxy-2-(2-methoxyethylsulfinyl)aniline (CID 81176021) is 4-ethoxy-2-(2-methoxyethylsulfinyl)aniline.
What is the SMILES notation for 4-ethoxy-2-(2-methoxyethylsulfinyl)aniline?
The canonical SMILES for 4-ethoxy-2-(2-methoxyethylsulfinyl)aniline is CCOc1ccc(N)c(S(=O)CCOC)c1.
What is the InChIKey of 4-ethoxy-2-(2-methoxyethylsulfinyl)aniline?
The InChIKey is SCVRTOXVOMNJDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-15-9-4-5-10(12)11(8-9)16(13)7-6-14-2/h4-5,8H,3,6-7,12H2,1-2H3.
What are the key properties of 4-ethoxy-2-(2-methoxyethylsulfinyl)aniline?
4-ethoxy-2-(2-methoxyethylsulfinyl)aniline has a molecular weight of 243.33 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-2-(2-methoxyethylsulfinyl)aniline is sourced from PubChem (CID 81176021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).