2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid

C10H19NO6S — CID 174531773

IUPAC2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid
SMILESCOC.Nc1cccc(CCO)c1.O=S(=O)(O)O
InChIInChI=1S/C8H11NO.C2H6O.H2O4S/c9-8-3-1-2-7(6-8)4-5-10;1-3-2;1-5(2,3)4/h1-3,6,10H,4-5,9H2;1-2H3;(H2,1,2,3,4)
InChIKeyMZILQCOFEFFURM-UHFFFAOYSA-N
MW281.33 g/mol
LogP0.41
Rot. Bonds2

About 2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid

2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid (PubChem CID 174531773) has the molecular formula C10H19NO6S and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid.

Molecular Properties

Compound Name2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid
PubChem CID174531773
Molecular FormulaC10H19NO6S
Molecular Weight281.33 g/mol
Exact Mass281.09
IUPAC Name2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid
SMILESCOC.Nc1cccc(CCO)c1.O=S(=O)(O)O
InChIInChI=1S/C8H11NO.C2H6O.H2O4S/c9-8-3-1-2-7(6-8)4-5-10;1-3-2;1-5(2,3)4/h1-3,6,10H,4-5,9H2;1-2H3;(H2,1,2,3,4)
InChIKeyMZILQCOFEFFURM-UHFFFAOYSA-N
XLogP0.41
TPSA130.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2-(3-aminophenyl)ethyl-[dihydroxy(oxo)-λ6-sulfanylidene]sulfanium
CID 172763547
3-(3-aminophenyl)propan-1-ol
CID 10103334
2-[3-(methylsulfonylmethyl)phenyl]ethanol
CID 117305725
3-(3-aminophenyl)propyl-[dihydroxy(oxo)-λ6-sulfanylidene]sulfanium
CID 172682666
2-(3-methylsulfonylphenyl)ethanol
CID 68870168
3-(hydroxysulfonothioyloxymethyl)aniline
CID 154085420
2-phenylethanol;sulfamic acid
CID 67854690
(3-methoxy-3-oxopropyl) 3-(3-aminophenyl)propanoate
CID 80701078
4-hydroxybutyl 3-(3-aminophenyl)propanoate
CID 80700713
methyl 3-[(3-aminophenyl)methyl-methylsulfamoyl]propanoate
CID 61458585
ethane;3-propylaniline;vanadium
CID 143596420
bis(3-methylaniline);sulfuric acid;dihydrate
CID 172789732

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid?
The IUPAC name of 2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid (CID 174531773) is 2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid.
What is the SMILES notation for 2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid?
The canonical SMILES for 2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid is COC.Nc1cccc(CCO)c1.O=S(=O)(O)O.
What is the InChIKey of 2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid?
The InChIKey is MZILQCOFEFFURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO.C2H6O.H2O4S/c9-8-3-1-2-7(6-8)4-5-10;1-3-2;1-5(2,3)4/h1-3,6,10H,4-5,9H2;1-2H3;(H2,1,2,3,4).
What are the key properties of 2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid?
2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid has a molecular weight of 281.33 g/mol, XLogP of 0.41, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)ethanol;methoxymethane;sulfuric acid is sourced from PubChem (CID 174531773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).