bis(2-(methylamino)phenol);sulfuric acid

C14H20N2O6S — CID 22154988

IUPACbis(2-(methylamino)phenol);sulfuric acid
SMILESCNc1ccccc1O.CNc1ccccc1O.O=S(=O)(O)O
InChIInChI=1S/2C7H9NO.H2O4S/c2*1-8-6-4-2-3-5-7(6)9;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)
InChIKeyHEXAJXLJXAKPIO-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.21
Rot. Bonds2

About bis(2-(methylamino)phenol);sulfuric acid

bis(2-(methylamino)phenol);sulfuric acid (PubChem CID 22154988) has the molecular formula C14H20N2O6S and a molecular weight of 344.39 g/mol. Its IUPAC name is bis(2-(methylamino)phenol);sulfuric acid.

Molecular Properties

Compound Namebis(2-(methylamino)phenol);sulfuric acid
PubChem CID22154988
Molecular FormulaC14H20N2O6S
Molecular Weight344.39 g/mol
Exact Mass344.10
IUPAC Namebis(2-(methylamino)phenol);sulfuric acid
SMILESCNc1ccccc1O.CNc1ccccc1O.O=S(=O)(O)O
InChIInChI=1S/2C7H9NO.H2O4S/c2*1-8-6-4-2-3-5-7(6)9;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4)
InChIKeyHEXAJXLJXAKPIO-UHFFFAOYSA-N
XLogP2.21
TPSA139.12 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.39
LogP ≤ 52.21
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Metol
CID 5930
o-(1-Piperazinyl)phenol
CID 70530
2-(Dimethylamino)phenol
CID 459235
Neoarsphenamine
CID 76961391
o-(Methylamino)phenol
CID 69138
Sulfarsphenamine
CID 71510
p-(Methylamino)phenol sulphate
CID 74737
n-(2-Hydroxyphenyl)formamide
CID 261527
6-(Trimethyl-lambda~5~-azanylidene)cyclohexa-2,4-dien-1-one--hydrogen iodide (1/1)
CID 30618
Carbanilide, 2-hydroxythio-
CID 703642
b-(o-Hydroxyphenylamino)vinyl methyl ketone
CID 118361949
o-(Ethylamino)phenol
CID 69196

Frequently Asked Questions

What is the IUPAC name of bis(2-(methylamino)phenol);sulfuric acid?
The IUPAC name of bis(2-(methylamino)phenol);sulfuric acid (CID 22154988) is bis(2-(methylamino)phenol);sulfuric acid.
What is the SMILES notation for bis(2-(methylamino)phenol);sulfuric acid?
The canonical SMILES for bis(2-(methylamino)phenol);sulfuric acid is CNc1ccccc1O.CNc1ccccc1O.O=S(=O)(O)O.
What is the InChIKey of bis(2-(methylamino)phenol);sulfuric acid?
The InChIKey is HEXAJXLJXAKPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9NO.H2O4S/c2*1-8-6-4-2-3-5-7(6)9;1-5(2,3)4/h2*2-5,8-9H,1H3;(H2,1,2,3,4).
What are the key properties of bis(2-(methylamino)phenol);sulfuric acid?
bis(2-(methylamino)phenol);sulfuric acid has a molecular weight of 344.39 g/mol, XLogP of 2.21, 2 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(methylamino)phenol);sulfuric acid is sourced from PubChem (CID 22154988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).