[(2S)-2-methoxy-2-phenylethyl]-trimethylazanium

C12H20NO+ — CID 15612897

IUPAC[(2S)-2-methoxy-2-phenylethyl]-trimethylazanium
SMILESCO[C@H](C[N+](C)(C)C)c1ccccc1
InChIInChI=1S/C12H20NO/c1-13(2,3)10-12(14-4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3/q+1/t12-/m1/s1
InChIKeyGQINVYXEQWNVSG-GFCCVEGCSA-N
MW194.30 g/mol
LogP2.08
Rot. Bonds4

About [(2S)-2-methoxy-2-phenylethyl]-trimethylazanium

[(2S)-2-methoxy-2-phenylethyl]-trimethylazanium (PubChem CID 15612897) has the molecular formula C12H20NO+ and a molecular weight of 194.30 g/mol. Its IUPAC name is [(2S)-2-methoxy-2-phenylethyl]-trimethylazanium.

Molecular Properties

Compound Name[(2S)-2-methoxy-2-phenylethyl]-trimethylazanium
PubChem CID15612897
Molecular FormulaC12H20NO+
Molecular Weight194.30 g/mol
Exact Mass194.15
IUPAC Name[(2S)-2-methoxy-2-phenylethyl]-trimethylazanium
SMILESCO[C@H](C[N+](C)(C)C)c1ccccc1
InChIInChI=1S/C12H20NO/c1-13(2,3)10-12(14-4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3/q+1/t12-/m1/s1
InChIKeyGQINVYXEQWNVSG-GFCCVEGCSA-N
XLogP2.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.08
H-Bond Donors ≤ 50
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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Phendimetrazine
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Phenmetrazine Hydrochloride
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N-Methylephedrine
CID 4374
Methylephedrine
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Oxaflozane
CID 432824
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Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methoxy-2-phenylethyl]-trimethylazanium?
The IUPAC name of [(2S)-2-methoxy-2-phenylethyl]-trimethylazanium (CID 15612897) is [(2S)-2-methoxy-2-phenylethyl]-trimethylazanium.
What is the SMILES notation for [(2S)-2-methoxy-2-phenylethyl]-trimethylazanium?
The canonical SMILES for [(2S)-2-methoxy-2-phenylethyl]-trimethylazanium is CO[C@H](C[N+](C)(C)C)c1ccccc1.
What is the InChIKey of [(2S)-2-methoxy-2-phenylethyl]-trimethylazanium?
The InChIKey is GQINVYXEQWNVSG-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H20NO/c1-13(2,3)10-12(14-4)11-8-6-5-7-9-11/h5-9,12H,10H2,1-4H3/q+1/t12-/m1/s1.
What are the key properties of [(2S)-2-methoxy-2-phenylethyl]-trimethylazanium?
[(2S)-2-methoxy-2-phenylethyl]-trimethylazanium has a molecular weight of 194.30 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methoxy-2-phenylethyl]-trimethylazanium is sourced from PubChem (CID 15612897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).