2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine

C11H18N2O3S — CID 63671672

IUPAC2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
SMILESCCOc1cc(NCCS(C)(=O)=O)ccc1N
InChIInChI=1S/C11H18N2O3S/c1-3-16-11-8-9(4-5-10(11)12)13-6-7-17(2,14)15/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyORNFEXDWKDDLFJ-UHFFFAOYSA-N
MW258.34 g/mol
LogP1.12
Rot. Bonds6

About 2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine

2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine (PubChem CID 63671672) has the molecular formula C11H18N2O3S and a molecular weight of 258.34 g/mol. Its IUPAC name is 2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
PubChem CID63671672
Molecular FormulaC11H18N2O3S
Molecular Weight258.34 g/mol
Exact Mass258.10
IUPAC Name2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
SMILESCCOc1cc(NCCS(C)(=O)=O)ccc1N
InChIInChI=1S/C11H18N2O3S/c1-3-16-11-8-9(4-5-10(11)12)13-6-7-17(2,14)15/h4-5,8,13H,3,6-7,12H2,1-2H3
InChIKeyORNFEXDWKDDLFJ-UHFFFAOYSA-N
XLogP1.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.34
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide
CID 106334327
3,4-diethoxy-N-(3-methylsulfonylpropyl)aniline
CID 63191159
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
2-ethoxy-4-N-[2-(2-methylprop-2-enoxy)ethyl]benzene-1,4-diamine
CID 114465365
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
4-N-(2-cyclobutylethyl)-2-ethoxybenzene-1,4-diamine
CID 113478541
N-[3-(4-amino-3-propoxyanilino)propyl]methanesulfonamide
CID 106333876
2-amino-5-(2-methylsulfonylethylamino)benzamide
CID 61312641
2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine
CID 113483988
2-ethoxy-4-N-[2-(1,3-thiazol-4-yl)ethyl]benzene-1,4-diamine
CID 63829691
4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 23104459

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine (CID 63671672) is 2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine is CCOc1cc(NCCS(C)(=O)=O)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine?
The InChIKey is ORNFEXDWKDDLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3S/c1-3-16-11-8-9(4-5-10(11)12)13-6-7-17(2,14)15/h4-5,8,13H,3,6-7,12H2,1-2H3.
What are the key properties of 2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine?
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine has a molecular weight of 258.34 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine is sourced from PubChem (CID 63671672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).