2-(4-amino-N-ethylanilino)ethanol;sulfuric acid

C10H18N2O5S — CID 2756529

IUPAC2-(4-amino-N-ethylanilino)ethanol;sulfuric acid
SMILESCCN(CCO)c1ccc(N)cc1.O=S(=O)(O)O
InChIInChI=1S/C10H16N2O.H2O4S/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;(H2,1,2,3,4)
InChIKeyKAJALVWKFPQZOO-UHFFFAOYSA-N
MW278.33 g/mol
LogP0.43
Rot. Bonds4

About 2-(4-amino-N-ethylanilino)ethanol;sulfuric acid

2-(4-amino-N-ethylanilino)ethanol;sulfuric acid (PubChem CID 2756529) has the molecular formula C10H18N2O5S and a molecular weight of 278.33 g/mol. Its IUPAC name is 2-(4-amino-N-ethylanilino)ethanol;sulfuric acid.

Molecular Properties

Compound Name2-(4-amino-N-ethylanilino)ethanol;sulfuric acid
PubChem CID2756529
Molecular FormulaC10H18N2O5S
Molecular Weight278.33 g/mol
Exact Mass278.09
IUPAC Name2-(4-amino-N-ethylanilino)ethanol;sulfuric acid
SMILESCCN(CCO)c1ccc(N)cc1.O=S(=O)(O)O
InChIInChI=1S/C10H16N2O.H2O4S/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;(H2,1,2,3,4)
InChIKeyKAJALVWKFPQZOO-UHFFFAOYSA-N
XLogP0.43
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 50.43
H-Bond Donors ≤ 54
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'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

N,N-Diethyl-p-phenylenediamine sulfate
CID 80166
N-Phenyl diethanolamine
CID 8416
N-(2-Hydroxyethyl)aniline
CID 31235
2-(N-ethylanilino)ethanol
CID 62338
N,N-Bis(2-hydroxy)-p-phenylenediamine sulfate
CID 93296
Ethanol, 2-((4-amino-3-methylphenyl)ethylamino)-, sulfate (1:1)
CID 91579
Disperse Black 9
CID 88669
2-(N-Methylanilino)ethanol
CID 62340
2-Propanol, 1,1'-(phenylimino)bis-
CID 76498
2-(4-Amino-N-ethylanilino)ethanol
CID 66713
N,N-Dimethyl-p-phenylenediamine sulfate
CID 80351
2-[N-(2-methylsulfonyloxyethyl)anilino]ethyl methanesulfonate
CID 415575

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-N-ethylanilino)ethanol;sulfuric acid?
The IUPAC name of 2-(4-amino-N-ethylanilino)ethanol;sulfuric acid (CID 2756529) is 2-(4-amino-N-ethylanilino)ethanol;sulfuric acid.
What is the SMILES notation for 2-(4-amino-N-ethylanilino)ethanol;sulfuric acid?
The canonical SMILES for 2-(4-amino-N-ethylanilino)ethanol;sulfuric acid is CCN(CCO)c1ccc(N)cc1.O=S(=O)(O)O.
What is the InChIKey of 2-(4-amino-N-ethylanilino)ethanol;sulfuric acid?
The InChIKey is KAJALVWKFPQZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O.H2O4S/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;(H2,1,2,3,4).
What are the key properties of 2-(4-amino-N-ethylanilino)ethanol;sulfuric acid?
2-(4-amino-N-ethylanilino)ethanol;sulfuric acid has a molecular weight of 278.33 g/mol, XLogP of 0.43, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-N-ethylanilino)ethanol;sulfuric acid is sourced from PubChem (CID 2756529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).