ethyl-(3-hydroxyphenyl)-dimethylazanium chloride

C10H16ClNO — CID 8307

IUPACethyl-(3-hydroxyphenyl)-dimethylazanium chloride
SMILESCC[N+](C)(C)c1cccc(O)c1.[Cl-]
InChIInChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
InChIKeyBXKDSDJJOVIHMX-UHFFFAOYSA-N
MW201.70 g/mol
LogP-1.02
Rot. Bonds2

About ethyl-(3-hydroxyphenyl)-dimethylazanium chloride

ethyl-(3-hydroxyphenyl)-dimethylazanium chloride (PubChem CID 8307) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is ethyl-(3-hydroxyphenyl)-dimethylazanium chloride.

Molecular Properties

Compound Nameethyl-(3-hydroxyphenyl)-dimethylazanium chloride
PubChem CID8307
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Nameethyl-(3-hydroxyphenyl)-dimethylazanium chloride
SMILESCC[N+](C)(C)c1cccc(O)c1.[Cl-]
InChIInChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H
InChIKeyBXKDSDJJOVIHMX-UHFFFAOYSA-N
XLogP-1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 5-1.02
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

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CID 10015867
1-(3-Hydroxyphenyl)-4-propylpiperazine
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Frequently Asked Questions

What is the IUPAC name of ethyl-(3-hydroxyphenyl)-dimethylazanium chloride?
The IUPAC name of ethyl-(3-hydroxyphenyl)-dimethylazanium chloride (CID 8307) is ethyl-(3-hydroxyphenyl)-dimethylazanium chloride.
What is the SMILES notation for ethyl-(3-hydroxyphenyl)-dimethylazanium chloride?
The canonical SMILES for ethyl-(3-hydroxyphenyl)-dimethylazanium chloride is CC[N+](C)(C)c1cccc(O)c1.[Cl-].
What is the InChIKey of ethyl-(3-hydroxyphenyl)-dimethylazanium chloride?
The InChIKey is BXKDSDJJOVIHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-4-11(2,3)9-6-5-7-10(12)8-9;/h5-8H,4H2,1-3H3;1H.
What are the key properties of ethyl-(3-hydroxyphenyl)-dimethylazanium chloride?
ethyl-(3-hydroxyphenyl)-dimethylazanium chloride has a molecular weight of 201.70 g/mol, XLogP of -1.02, 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 chloride is sourced from PubChem (CID 8307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).