2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride

C11H23Cl2N3O3S — CID 70452511

IUPAC2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride
SMILESCCN(CCO)c1ccc(N)cc1.CS(N)(=O)=O.Cl.Cl
InChIInChI=1S/C10H16N2O.CH5NO2S.2ClH/c1-2-12(7-8-13)10-5-3-9(11)4-6-10;1-5(2,3)4;;/h3-6,13H,2,7-8,11H2,1H3;1H3,(H2,2,3,4);2*1H
InChIKeyODUUPYAZQUJIPA-UHFFFAOYSA-N
MW348.30 g/mol
LogP0.84
Rot. Bonds4

About 2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride

2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride (PubChem CID 70452511) has the molecular formula C11H23Cl2N3O3S and a molecular weight of 348.30 g/mol. Its IUPAC name is 2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride.

Molecular Properties

Compound Name2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride
PubChem CID70452511
Molecular FormulaC11H23Cl2N3O3S
Molecular Weight348.30 g/mol
Exact Mass347.08
IUPAC Name2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride
SMILESCCN(CCO)c1ccc(N)cc1.CS(N)(=O)=O.Cl.Cl
InChIInChI=1S/C10H16N2O.CH5NO2S.2ClH/c1-2-12(7-8-13)10-5-3-9(11)4-6-10;1-5(2,3)4;;/h3-6,13H,2,7-8,11H2,1H3;1H3,(H2,2,3,4);2*1H
InChIKeyODUUPYAZQUJIPA-UHFFFAOYSA-N
XLogP0.84
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.30
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-ethylanilino)ethanol;hydrate
CID 68828787
2-[4-amino-N-(2-hydroxyethyl)anilino]ethanol
CID 67612353
2-[4-amino-N-[4-[4-amino-N-(2-hydroxyethyl)anilino]butyl]anilino]ethanol;tetrahydrochloride
CID 70637275
N-[2-(4-amino-N-ethylanilino)ethyl]-N'-[4-(ethylamino)phenyl]-N'-(2-hydroxyethyl)methanesulfonohydrazide
CID 57238464
2-[4-(aminomethyl)-N-ethylanilino]ethanol
CID 43275884
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
[4-[ethyl(2-hydroxyethyl)amino]phenyl]azanium
CID 143733505
zinc;4-[ethyl(2-hydroxyethyl)amino]benzenediazonium;trichloride
CID 91997517
4-[(4-aminophenyl)methyl-ethylamino]benzenesulfonamide
CID 60875699
4-[butyl(2-hydroxyethyl)amino]benzenesulfonamide
CID 61448189
2-[4-amino-N-(2,2,2-trifluoroethyl)anilino]ethanol
CID 107478278
(1S)-1-[4-[ethyl(2-hydroxyethyl)amino]phenyl]ethanol
CID 63371070

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride?
The IUPAC name of 2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride (CID 70452511) is 2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride.
What is the SMILES notation for 2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride?
The canonical SMILES for 2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride is CCN(CCO)c1ccc(N)cc1.CS(N)(=O)=O.Cl.Cl.
What is the InChIKey of 2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride?
The InChIKey is ODUUPYAZQUJIPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.CH5NO2S.2ClH/c1-2-12(7-8-13)10-5-3-9(11)4-6-10;1-5(2,3)4;;/h3-6,13H,2,7-8,11H2,1H3;1H3,(H2,2,3,4);2*1H.
What are the key properties of 2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride?
2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride has a molecular weight of 348.30 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-ethylanilino)ethanol;methanesulfonamide;dihydrochloride is sourced from PubChem (CID 70452511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).