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

C12H20N2O2S — CID 113483988

IUPAC2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine
SMILESCCOc1cc(NCC(C)S(C)=O)ccc1N
InChIInChI=1S/C12H20N2O2S/c1-4-16-12-7-10(5-6-11(12)13)14-8-9(2)17(3)15/h5-7,9,14H,4,8,13H2,1-3H3
InChIKeyRLMZSKCWFGGXTC-UHFFFAOYSA-N
MW256.37 g/mol
LogP1.85
Rot. Bonds6

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

2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine (PubChem CID 113483988) has the molecular formula C12H20N2O2S and a molecular weight of 256.37 g/mol. Its IUPAC name is 2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine
PubChem CID113483988
Molecular FormulaC12H20N2O2S
Molecular Weight256.37 g/mol
Exact Mass256.12
IUPAC Name2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine
SMILESCCOc1cc(NCC(C)S(C)=O)ccc1N
InChIInChI=1S/C12H20N2O2S/c1-4-16-12-7-10(5-6-11(12)13)14-8-9(2)17(3)15/h5-7,9,14H,4,8,13H2,1-3H3
InChIKeyRLMZSKCWFGGXTC-UHFFFAOYSA-N
XLogP1.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine
CID 106751170
1-(4-amino-3-ethoxyanilino)pentan-2-ol
CID 113495527
4-N-(2,2-dimethylpropyl)-2-ethoxybenzene-1,4-diamine
CID 63670004
2-(4-amino-3-ethoxyanilino)-1-cyclopropylethanol
CID 55232564
ethyl 2-(4-amino-3-ethoxyanilino)acetate
CID 63670664
2-ethoxy-4-N-(2-methylsulfonylethyl)benzene-1,4-diamine
CID 63671672
2-ethoxy-4-N-(3-phenoxypropyl)benzene-1,4-diamine
CID 63676287
2-ethoxy-4-N-[(3-ethyl-2-pyridinyl)methyl]benzene-1,4-diamine
CID 82741640
4-N-(4-tert-butylphenyl)-2-ethoxybenzene-1,4-diamine
CID 63670946
4-N-(3,4-dichlorophenyl)-2-ethoxybenzene-1,4-diamine
CID 63671293
2-(4-amino-3-ethoxyanilino)-N-ethylethanesulfonamide
CID 106334327
1-(4-amino-3-propoxyanilino)-4-methylpentan-2-ol
CID 107151168

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine (CID 113483988) is 2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine is CCOc1cc(NCC(C)S(C)=O)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine?
The InChIKey is RLMZSKCWFGGXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S/c1-4-16-12-7-10(5-6-11(12)13)14-8-9(2)17(3)15/h5-7,9,14H,4,8,13H2,1-3H3.
What are the key properties of 2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine?
2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine has a molecular weight of 256.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-(2-methylsulfinylpropyl)benzene-1,4-diamine is sourced from PubChem (CID 113483988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).