2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium

C12H20NO+ — CID 10826158

IUPAC2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium
SMILESC[N+](C)(CCO)CCc1ccccc1
InChIInChI=1S/C12H20NO/c1-13(2,10-11-14)9-8-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3/q+1
InChIKeyMZULFSKTWRQZCY-UHFFFAOYSA-N
MW194.30 g/mol
LogP1.30
Rot. Bonds5

About 2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium

2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium (PubChem CID 10826158) has the molecular formula C12H20NO+ and a molecular weight of 194.30 g/mol. Its IUPAC name is 2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium.

Molecular Properties

Compound Name2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium
PubChem CID10826158
Molecular FormulaC12H20NO+
Molecular Weight194.30 g/mol
Exact Mass194.15
IUPAC Name2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium
SMILESC[N+](C)(CCO)CCc1ccccc1
InChIInChI=1S/C12H20NO/c1-13(2,10-11-14)9-8-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3/q+1
InChIKeyMZULFSKTWRQZCY-UHFFFAOYSA-N
XLogP1.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.30
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

dimethyl-(2-phenylethyl)-propylazanium
CID 102214830
2-hydroxyethyl-[2-(3-iodophenyl)ethyl]-dimethylazanium
CID 171347134
tribenzyl(2-hydroxyethyl)azanium
CID 102387440
bis(benzyl-(2-hydroxyethyl)-dimethylazanium);bicyclo[2.2.2]octane;dichloride
CID 173455549
2-hydroxyethyl-[2-(5-iodothiophen-2-yl)ethyl]-dimethylazanium
CID 137375786
formaldehyde;2-phenylethanol
CID 143785167
potassium;hydride;2-phenylethanol;tritetrafluoroborate
CID 173023580
butane-2,3-diol;2-phenylethanol
CID 175116943
2-phenylethanol;propanoic acid
CID 70495468
benzyl-(2-hydroxyethyl)-dimethylazanium;prop-2-enoate
CID 87376454
2-(2,2-dimethylbutanoyloxy)ethyl-dimethyl-(2-phenylethyl)azanium
CID 59513253
benzyl(trimethyl)azanium;diethyl(dimethyl)azanium;2-hydroxyethyl(trimethyl)azanium;trihydroxide
CID 174797972

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium?
The IUPAC name of 2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium (CID 10826158) is 2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium.
What is the SMILES notation for 2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium?
The canonical SMILES for 2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium is C[N+](C)(CCO)CCc1ccccc1.
What is the InChIKey of 2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium?
The InChIKey is MZULFSKTWRQZCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20NO/c1-13(2,10-11-14)9-8-12-6-4-3-5-7-12/h3-7,14H,8-11H2,1-2H3/q+1.
What are the key properties of 2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium?
2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium has a molecular weight of 194.30 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl-dimethyl-(2-phenylethyl)azanium is sourced from PubChem (CID 10826158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).