2,4-dimethoxyaniline;sulfuric acid

C8H13NO6S — CID 160678823

IUPAC2,4-dimethoxyaniline;sulfuric acid
SMILESCOc1ccc(N)c(OC)c1.O=S(=O)(O)O
InChIInChI=1S/C8H11NO2.H2O4S/c1-10-6-3-4-7(9)8(5-6)11-2;1-5(2,3)4/h3-5H,9H2,1-2H3;(H2,1,2,3,4)
InChIKeyRNWJJOZSBHRFCP-UHFFFAOYSA-N
MW251.26 g/mol
LogP0.63
Rot. Bonds2

About 2,4-dimethoxyaniline;sulfuric acid

2,4-dimethoxyaniline;sulfuric acid (PubChem CID 160678823) has the molecular formula C8H13NO6S and a molecular weight of 251.26 g/mol. Its IUPAC name is 2,4-dimethoxyaniline;sulfuric acid.

Molecular Properties

Compound Name2,4-dimethoxyaniline;sulfuric acid
PubChem CID160678823
Molecular FormulaC8H13NO6S
Molecular Weight251.26 g/mol
Exact Mass251.05
IUPAC Name2,4-dimethoxyaniline;sulfuric acid
SMILESCOc1ccc(N)c(OC)c1.O=S(=O)(O)O
InChIInChI=1S/C8H11NO2.H2O4S/c1-10-6-3-4-7(9)8(5-6)11-2;1-5(2,3)4/h3-5H,9H2,1-2H3;(H2,1,2,3,4)
InChIKeyRNWJJOZSBHRFCP-UHFFFAOYSA-N
XLogP0.63
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,4-dimethoxyaniline;sulfuric acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dimethoxyaniline;3-oxobutanoic acid
CID 70522246
(2-amino-5-methoxyphenyl) dihydrogen phosphate
CID 123556762
2-(3,4-dimethoxyphenoxy)-4-methoxyaniline
CID 123638335
1-amino-4-methoxy-2-sulfosulfanylbenzene
CID 130155226
4-methoxy-2-trimethylsilyloxyaniline
CID 167737964
lithium 2-amino-5-methoxybenzenesulfonate
CID 101304006
(2,5-dimethoxyphenyl) sulfamate
CID 56992916
2-(2-amino-5-methoxyphenyl)sulfonylacetamide
CID 81207136
3-(2-amino-5-methoxyphenoxy)propanoic acid
CID 102702334
(2-amino-4-methoxyphenyl)methanesulfonic acid
CID 154180225
4-methoxy-2-(methoxymethylsulfonyl)aniline
CID 81207309
6-(4-amino-3-methoxyanilino)naphthalene-2-sulfonic acid
CID 143837185

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxyaniline;sulfuric acid?
The IUPAC name of 2,4-dimethoxyaniline;sulfuric acid (CID 160678823) is 2,4-dimethoxyaniline;sulfuric acid.
What is the SMILES notation for 2,4-dimethoxyaniline;sulfuric acid?
The canonical SMILES for 2,4-dimethoxyaniline;sulfuric acid is COc1ccc(N)c(OC)c1.O=S(=O)(O)O.
What is the InChIKey of 2,4-dimethoxyaniline;sulfuric acid?
The InChIKey is RNWJJOZSBHRFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2.H2O4S/c1-10-6-3-4-7(9)8(5-6)11-2;1-5(2,3)4/h3-5H,9H2,1-2H3;(H2,1,2,3,4).
What are the key properties of 2,4-dimethoxyaniline;sulfuric acid?
2,4-dimethoxyaniline;sulfuric acid has a molecular weight of 251.26 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxyaniline;sulfuric acid is sourced from PubChem (CID 160678823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).