2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride

C10H16ClNO — CID 2736592

IUPAC2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCc1ccc(O)cc1.[Cl-]
InChIInChI=1S/C10H15NO.ClH/c1-11(2)8-7-9-3-5-10(12)6-4-9;/h3-6,12H,7-8H2,1-2H3;1H
InChIKeyKIZRJFIRFPIRFS-UHFFFAOYSA-N
MW201.70 g/mol
LogP-2.92
Rot. Bonds3

About 2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride

2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride (PubChem CID 2736592) has the molecular formula C10H16ClNO and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride
PubChem CID2736592
Molecular FormulaC10H16ClNO
Molecular Weight201.70 g/mol
Exact Mass201.09
IUPAC Name2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride
SMILESC[NH+](C)CCc1ccc(O)cc1.[Cl-]
InChIInChI=1S/C10H15NO.ClH/c1-11(2)8-7-9-3-5-10(12)6-4-9;/h3-6,12H,7-8H2,1-2H3;1H
InChIKeyKIZRJFIRFPIRFS-UHFFFAOYSA-N
XLogP-2.92
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 5-2.92
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 chloride?
The IUPAC name of 2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride (CID 2736592) is 2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride.
What is the SMILES notation for 2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride?
The canonical SMILES for 2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride is C[NH+](C)CCc1ccc(O)cc1.[Cl-].
What is the InChIKey of 2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride?
The InChIKey is KIZRJFIRFPIRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.ClH/c1-11(2)8-7-9-3-5-10(12)6-4-9;/h3-6,12H,7-8H2,1-2H3;1H.
What are the key properties of 2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride?
2-(4-hydroxyphenyl)ethyl-dimethylazanium chloride has a molecular weight of 201.70 g/mol, XLogP of -2.92, 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 chloride is sourced from PubChem (CID 2736592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).