ethyl-(3-hydroxyphenyl)-dimethylazanium

C10H16NO+ — CID 3202

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IUPACethyl-(3-hydroxyphenyl)-dimethylazanium
SMILESCC[N+](C)(C)c1cccc(O)c1
InChIInChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
InChIKeyVWLHWLSRQJQWRG-UHFFFAOYSA-O
MW166.24 g/mol
LogP1.98
Rot. Bonds2

About ethyl-(3-hydroxyphenyl)-dimethylazanium

ethyl-(3-hydroxyphenyl)-dimethylazanium (PubChem CID 3202) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is ethyl-(3-hydroxyphenyl)-dimethylazanium.

Molecular Properties

Compound Nameethyl-(3-hydroxyphenyl)-dimethylazanium
PubChem CID3202
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Nameethyl-(3-hydroxyphenyl)-dimethylazanium
SMILESCC[N+](C)(C)c1cccc(O)c1
InChIInChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1
InChIKeyVWLHWLSRQJQWRG-UHFFFAOYSA-O
XLogP1.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 51.98
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

3-Hydroxyacetanilide
CID 12124
Edrophonium Chloride
CID 8307
3-(Diethylamino)phenol
CID 7062
4-(Dimethylamino)phenol
CID 22174
3-(Dimethylamino)phenol
CID 7421
3-Hydroxy-N-phenylaniline
CID 7546
3-Ethylamino-4-methylphenol
CID 8428
Benzenaminium, N-ethyl-3-hydroxy-N,N-dimethyl-, bromide (1:1)
CID 9336
3-Hydroxyphenyltrimethylammonium iodide
CID 17250
2-(Dimethylamino)phenol
CID 459235
3-Ethylaminophenol
CID 578991
N,N-Diethyl-m-phenetidine
CID 74625

Frequently Asked Questions

What is the IUPAC name of ethyl-(3-hydroxyphenyl)-dimethylazanium?
The IUPAC name of ethyl-(3-hydroxyphenyl)-dimethylazanium (CID 3202) is ethyl-(3-hydroxyphenyl)-dimethylazanium.
What is the SMILES notation for ethyl-(3-hydroxyphenyl)-dimethylazanium?
The canonical SMILES for ethyl-(3-hydroxyphenyl)-dimethylazanium is CC[N+](C)(C)c1cccc(O)c1.
What is the InChIKey of ethyl-(3-hydroxyphenyl)-dimethylazanium?
The InChIKey is VWLHWLSRQJQWRG-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NO/c1-4-11(2,3)9-6-5-7-10(12)8-9/h5-8H,4H2,1-3H3/p+1.
What are the key properties of ethyl-(3-hydroxyphenyl)-dimethylazanium?
ethyl-(3-hydroxyphenyl)-dimethylazanium has a molecular weight of 166.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(3-hydroxyphenyl)-dimethylazanium is sourced from PubChem (CID 3202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).