2-(4-hydroxyphenyl)ethyl-dimethylazanium

C10H16NO+ — CID 3914876

IUPAC2-(4-hydroxyphenyl)ethyl-dimethylazanium
SMILESC[NH+](C)CCc1ccc(O)cc1
InChIInChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3/p+1
InChIKeyKUBCEEMXQZUPDQ-UHFFFAOYSA-O
MW166.24 g/mol
LogP0.08
Rot. Bonds3

About 2-(4-hydroxyphenyl)ethyl-dimethylazanium

2-(4-hydroxyphenyl)ethyl-dimethylazanium (PubChem CID 3914876) has the molecular formula C10H16NO+ and a molecular weight of 166.24 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl-dimethylazanium.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl-dimethylazanium
PubChem CID3914876
Molecular FormulaC10H16NO+
Molecular Weight166.24 g/mol
Exact Mass166.12
IUPAC Name2-(4-hydroxyphenyl)ethyl-dimethylazanium
SMILESC[NH+](C)CCc1ccc(O)cc1
InChIInChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3/p+1
InChIKeyKUBCEEMXQZUPDQ-UHFFFAOYSA-O
XLogP0.08
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.24
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)ethyl-dimethylazanium?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl-dimethylazanium (CID 3914876) is 2-(4-hydroxyphenyl)ethyl-dimethylazanium.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl-dimethylazanium?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl-dimethylazanium is C[NH+](C)CCc1ccc(O)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl-dimethylazanium?
The InChIKey is KUBCEEMXQZUPDQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H15NO/c1-11(2)8-7-9-3-5-10(12)6-4-9/h3-6,12H,7-8H2,1-2H3/p+1.
What are the key properties of 2-(4-hydroxyphenyl)ethyl-dimethylazanium?
2-(4-hydroxyphenyl)ethyl-dimethylazanium has a molecular weight of 166.24 g/mol, XLogP of 0.08, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)ethyl-dimethylazanium is sourced from PubChem (CID 3914876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).