diethyl-(3-hydroxyphenyl)-methylazanium chloride

C11H18ClNO — CID 14325

IUPACdiethyl-(3-hydroxyphenyl)-methylazanium chloride
SMILESCC[N+](C)(CC)c1cccc(O)c1.[Cl-]
InChIInChI=1S/C11H17NO.ClH/c1-4-12(3,5-2)10-7-6-8-11(13)9-10;/h6-9H,4-5H2,1-3H3;1H
InChIKeyOPXOFISZWUAAQK-UHFFFAOYSA-N
MW215.72 g/mol
LogP-0.63
Rot. Bonds3

About diethyl-(3-hydroxyphenyl)-methylazanium chloride

diethyl-(3-hydroxyphenyl)-methylazanium chloride (PubChem CID 14325) has the molecular formula C11H18ClNO and a molecular weight of 215.72 g/mol. Its IUPAC name is diethyl-(3-hydroxyphenyl)-methylazanium chloride.

Molecular Properties

Compound Namediethyl-(3-hydroxyphenyl)-methylazanium chloride
PubChem CID14325
Molecular FormulaC11H18ClNO
Molecular Weight215.72 g/mol
Exact Mass215.11
IUPAC Namediethyl-(3-hydroxyphenyl)-methylazanium chloride
SMILESCC[N+](C)(CC)c1cccc(O)c1.[Cl-]
InChIInChI=1S/C11H17NO.ClH/c1-4-12(3,5-2)10-7-6-8-11(13)9-10;/h6-9H,4-5H2,1-3H3;1H
InChIKeyOPXOFISZWUAAQK-UHFFFAOYSA-N
XLogP-0.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.72
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethyl-(3-hydroxyphenyl)-dimethylazanium;chloride;hydroxide
CID 23616875
(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
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
tetrakis(benzene-1,3-diol);2,4-dimethylpentane;propane
CID 157137279
carbanide;3-methylphenol;yttrium
CID 161376652
magnesium;benzene-1,3-diol;oxygen(2-)
CID 158172570

Frequently Asked Questions

What is the IUPAC name of diethyl-(3-hydroxyphenyl)-methylazanium chloride?
The IUPAC name of diethyl-(3-hydroxyphenyl)-methylazanium chloride (CID 14325) is diethyl-(3-hydroxyphenyl)-methylazanium chloride.
What is the SMILES notation for diethyl-(3-hydroxyphenyl)-methylazanium chloride?
The canonical SMILES for diethyl-(3-hydroxyphenyl)-methylazanium chloride is CC[N+](C)(CC)c1cccc(O)c1.[Cl-].
What is the InChIKey of diethyl-(3-hydroxyphenyl)-methylazanium chloride?
The InChIKey is OPXOFISZWUAAQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.ClH/c1-4-12(3,5-2)10-7-6-8-11(13)9-10;/h6-9H,4-5H2,1-3H3;1H.
What are the key properties of diethyl-(3-hydroxyphenyl)-methylazanium chloride?
diethyl-(3-hydroxyphenyl)-methylazanium chloride has a molecular weight of 215.72 g/mol, XLogP of -0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl-(3-hydroxyphenyl)-methylazanium chloride is sourced from PubChem (CID 14325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).