ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide

C10H17ClNO2- — CID 23616875

IUPACethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide
SMILESCC[N+](C)(C)c1cccc(O)c1.[Cl-].[OH-]
InChIInChI=1S/C10H15NO.ClH.H2O/c1-4-11(2,3)9-6-5-7-10(12)8-9;;/h5-8H,4H2,1-3H3;1H;1H2/p-1
InChIKeyFHRZKPSRJRMBJA-UHFFFAOYSA-M
MW218.70 g/mol
LogP-1.19
Rot. Bonds2

About ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide

ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide (PubChem CID 23616875) has the molecular formula C10H17ClNO2- and a molecular weight of 218.70 g/mol. Its IUPAC name is ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide.

Molecular Properties

Compound Nameethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide
PubChem CID23616875
Molecular FormulaC10H17ClNO2-
Molecular Weight218.70 g/mol
Exact Mass218.10
IUPAC Nameethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide
SMILESCC[N+](C)(C)c1cccc(O)c1.[Cl-].[OH-]
InChIInChI=1S/C10H15NO.ClH.H2O/c1-4-11(2,3)9-6-5-7-10(12)8-9;;/h5-8H,4H2,1-3H3;1H;1H2/p-1
InChIKeyFHRZKPSRJRMBJA-UHFFFAOYSA-M
XLogP-1.19
TPSA50.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 5-1.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide 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

diethyl-(3-hydroxyphenyl)-methylazanium chloride
CID 14325
ethyl-(4-hydroxyphenyl)-dimethylazanium
CID 23621897
(3-hydroxyphenyl)-dimethyl-(trideuteriomethyl)azanium iodide
CID 162641096
phenol;triethyl(methyl)azanium
CID 159672401
benzene-1,3-diol;tris(yttrium)
CID 23386139
3-(ethylamino)phenol
CID 578991
3-[2-(ethylamino)ethylsulfanyl]phenol
CID 104591079
bis(benzene-1,3-diol);methane
CID 70633400
bis(benzene-1,3-diol);hydrate
CID 174320343
benzene-1,3-diol;bis(rutherfordium)
CID 140661178
carbon monoxide;3-methylphenol;molybdenum;tetraethylazanium
CID 134902527
3-[[2-(ethylamino)ethylamino]methyl]phenol
CID 83962894

Frequently Asked Questions

What is the IUPAC name of ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide?
The IUPAC name of ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide (CID 23616875) is ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide.
What is the SMILES notation for ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide?
The canonical SMILES for ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide is CC[N+](C)(C)c1cccc(O)c1.[Cl-].[OH-].
What is the InChIKey of ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide?
The InChIKey is FHRZKPSRJRMBJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15NO.ClH.H2O/c1-4-11(2,3)9-6-5-7-10(12)8-9;;/h5-8H,4H2,1-3H3;1H;1H2/p-1.
What are the key properties of ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide?
ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide has a molecular weight of 218.70 g/mol, XLogP of -1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide is sourced from PubChem (CID 23616875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).