1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid

C11H20N2O5S — CID 22245549

IUPAC1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid
SMILESCCN(c1ccc(N)c(C)c1)C(C)O.O=S(=O)(O)O
InChIInChI=1S/C11H18N2O.H2O4S/c1-4-13(9(3)14)10-5-6-11(12)8(2)7-10;1-5(2,3)4/h5-7,9,14H,4,12H2,1-3H3;(H2,1,2,3,4)
InChIKeyHGAPHQORSKDEBW-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.09
Rot. Bonds3

About 1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid

1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid (PubChem CID 22245549) has the molecular formula C11H20N2O5S and a molecular weight of 292.36 g/mol. Its IUPAC name is 1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid.

Molecular Properties

Compound Name1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid
PubChem CID22245549
Molecular FormulaC11H20N2O5S
Molecular Weight292.36 g/mol
Exact Mass292.11
IUPAC Name1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid
SMILESCCN(c1ccc(N)c(C)c1)C(C)O.O=S(=O)(O)O
InChIInChI=1S/C11H18N2O.H2O4S/c1-4-13(9(3)14)10-5-6-11(12)8(2)7-10;1-5(2,3)4/h5-7,9,14H,4,12H2,1-3H3;(H2,1,2,3,4)
InChIKeyHGAPHQORSKDEBW-UHFFFAOYSA-N
XLogP1.09
TPSA124.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid?
The IUPAC name of 1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid (CID 22245549) is 1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid.
What is the SMILES notation for 1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid?
The canonical SMILES for 1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid is CCN(c1ccc(N)c(C)c1)C(C)O.O=S(=O)(O)O.
What is the InChIKey of 1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid?
The InChIKey is HGAPHQORSKDEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O.H2O4S/c1-4-13(9(3)14)10-5-6-11(12)8(2)7-10;1-5(2,3)4/h5-7,9,14H,4,12H2,1-3H3;(H2,1,2,3,4).
What are the key properties of 1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid?
1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid has a molecular weight of 292.36 g/mol, XLogP of 1.09, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-N-ethyl-3-methylanilino)ethanol;sulfuric acid is sourced from PubChem (CID 22245549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).