triethyl-(2-hydroxy-1-phenylethyl)azanium

C14H24NO+ — CID 19964078

IUPACtriethyl-(2-hydroxy-1-phenylethyl)azanium
SMILESCC[N+](CC)(CC)C(CO)c1ccccc1
InChIInChI=1S/C14H24NO/c1-4-15(5-2,6-3)14(12-16)13-10-8-7-9-11-13/h7-11,14,16H,4-6,12H2,1-3H3/q+1
InChIKeyAHQLZFPKYULTLR-UHFFFAOYSA-N
MW222.35 g/mol
LogP2.60
Rot. Bonds6

About triethyl-(2-hydroxy-1-phenylethyl)azanium

triethyl-(2-hydroxy-1-phenylethyl)azanium (PubChem CID 19964078) has the molecular formula C14H24NO+ and a molecular weight of 222.35 g/mol. Its IUPAC name is triethyl-(2-hydroxy-1-phenylethyl)azanium.

Molecular Properties

Compound Nametriethyl-(2-hydroxy-1-phenylethyl)azanium
PubChem CID19964078
Molecular FormulaC14H24NO+
Molecular Weight222.35 g/mol
Exact Mass222.19
IUPAC Nametriethyl-(2-hydroxy-1-phenylethyl)azanium
SMILESCC[N+](CC)(CC)C(CO)c1ccccc1
InChIInChI=1S/C14H24NO/c1-4-15(5-2,6-3)14(12-16)13-10-8-7-9-11-13/h7-11,14,16H,4-6,12H2,1-3H3/q+1
InChIKeyAHQLZFPKYULTLR-UHFFFAOYSA-N
XLogP2.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.35
LogP ≤ 52.60
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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Frequently Asked Questions

What is the IUPAC name of triethyl-(2-hydroxy-1-phenylethyl)azanium?
The IUPAC name of triethyl-(2-hydroxy-1-phenylethyl)azanium (CID 19964078) is triethyl-(2-hydroxy-1-phenylethyl)azanium.
What is the SMILES notation for triethyl-(2-hydroxy-1-phenylethyl)azanium?
The canonical SMILES for triethyl-(2-hydroxy-1-phenylethyl)azanium is CC[N+](CC)(CC)C(CO)c1ccccc1.
What is the InChIKey of triethyl-(2-hydroxy-1-phenylethyl)azanium?
The InChIKey is AHQLZFPKYULTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24NO/c1-4-15(5-2,6-3)14(12-16)13-10-8-7-9-11-13/h7-11,14,16H,4-6,12H2,1-3H3/q+1.
What are the key properties of triethyl-(2-hydroxy-1-phenylethyl)azanium?
triethyl-(2-hydroxy-1-phenylethyl)azanium has a molecular weight of 222.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-(2-hydroxy-1-phenylethyl)azanium is sourced from PubChem (CID 19964078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).