2-ethoxy-4-(4-methylsulfonylphenoxy)aniline

C15H17NO4S — CID 63676144

IUPAC2-ethoxy-4-(4-methylsulfonylphenoxy)aniline
SMILESCCOc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1N
InChIInChI=1S/C15H17NO4S/c1-3-19-15-10-12(6-9-14(15)16)20-11-4-7-13(8-5-11)21(2,17)18/h4-10H,3,16H2,1-2H3
InChIKeyMJTQUWLVIWGZJI-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.86
Rot. Bonds5

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

2-ethoxy-4-(4-methylsulfonylphenoxy)aniline (PubChem CID 63676144) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-ethoxy-4-(4-methylsulfonylphenoxy)aniline.

Molecular Properties

Compound Name2-ethoxy-4-(4-methylsulfonylphenoxy)aniline
PubChem CID63676144
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name2-ethoxy-4-(4-methylsulfonylphenoxy)aniline
SMILESCCOc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1N
InChIInChI=1S/C15H17NO4S/c1-3-19-15-10-12(6-9-14(15)16)20-11-4-7-13(8-5-11)21(2,17)18/h4-10H,3,16H2,1-2H3
InChIKeyMJTQUWLVIWGZJI-UHFFFAOYSA-N
XLogP2.86
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxy-4-(4-methoxyphenoxy)aniline
CID 63675944
2-ethoxy-4-(4-propylphenoxy)aniline
CID 63675228
4-(3,5-dimethylphenoxy)-2-ethoxyaniline
CID 63676933
4-(3,4-dimethylphenoxy)-2-ethoxyaniline
CID 63676735
4-(4-ethoxyphenoxy)-2-propoxyaniline
CID 63676127
4-(4-chloro-3-methylphenoxy)-2-ethoxyaniline
CID 63676742
4-ethoxy-6-(4-methylsulfonylphenoxy)-1,3,5-triazin-2-amine
CID 80874010
2-ethoxy-4-propoxyaniline
CID 63677806
2-ethoxy-4-(2-iodophenoxy)aniline
CID 63675223
4-(4-methoxyphenoxy)-2-propoxyaniline
CID 63675755
2-(4-ethylphenoxy)-5-methylsulfonylaniline
CID 43448142
4-(2,4-dichlorophenoxy)-2-ethoxyaniline
CID 63675211

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-(4-methylsulfonylphenoxy)aniline?
The IUPAC name of 2-ethoxy-4-(4-methylsulfonylphenoxy)aniline (CID 63676144) is 2-ethoxy-4-(4-methylsulfonylphenoxy)aniline.
What is the SMILES notation for 2-ethoxy-4-(4-methylsulfonylphenoxy)aniline?
The canonical SMILES for 2-ethoxy-4-(4-methylsulfonylphenoxy)aniline is CCOc1cc(Oc2ccc(S(C)(=O)=O)cc2)ccc1N.
What is the InChIKey of 2-ethoxy-4-(4-methylsulfonylphenoxy)aniline?
The InChIKey is MJTQUWLVIWGZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-3-19-15-10-12(6-9-14(15)16)20-11-4-7-13(8-5-11)21(2,17)18/h4-10H,3,16H2,1-2H3.
What are the key properties of 2-ethoxy-4-(4-methylsulfonylphenoxy)aniline?
2-ethoxy-4-(4-methylsulfonylphenoxy)aniline has a molecular weight of 307.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-(4-methylsulfonylphenoxy)aniline is sourced from PubChem (CID 63676144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).