(2,6-dimethylphenoxy)-diethylazanium

C12H20NO+ — CID 173223943

IUPAC(2,6-dimethylphenoxy)-diethylazanium
SMILESCC[NH+](CC)Oc1c(C)cccc1C
InChIInChI=1S/C12H19NO/c1-5-13(6-2)14-12-10(3)8-7-9-11(12)4/h7-9H,5-6H2,1-4H3/p+1
InChIKeyJHBYUKPNLHETFK-UHFFFAOYSA-O
MW194.30 g/mol
LogP1.52
Rot. Bonds4

About (2,6-dimethylphenoxy)-diethylazanium

(2,6-dimethylphenoxy)-diethylazanium (PubChem CID 173223943) has the molecular formula C12H20NO+ and a molecular weight of 194.30 g/mol. Its IUPAC name is (2,6-dimethylphenoxy)-diethylazanium.

Molecular Properties

Compound Name(2,6-dimethylphenoxy)-diethylazanium
PubChem CID173223943
Molecular FormulaC12H20NO+
Molecular Weight194.30 g/mol
Exact Mass194.15
IUPAC Name(2,6-dimethylphenoxy)-diethylazanium
SMILESCC[NH+](CC)Oc1c(C)cccc1C
InChIInChI=1S/C12H19NO/c1-5-13(6-2)14-12-10(3)8-7-9-11(12)4/h7-9H,5-6H2,1-4H3/p+1
InChIKeyJHBYUKPNLHETFK-UHFFFAOYSA-O
XLogP1.52
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Dihydrobenzoxazepine
CID 21893792
2-Ethyldimethylphenoxyammonium chloride
CID 129764877
4-Fluoro-2-methyl-6-[3-(methylamino)prop-1-enyl]phenol
CID 169474736
O-(2,6-dimethylphenyl)hydroxylamine
CID 15688149
N-ethylethanamine;2-methylphenol
CID 17764811
N-(2-methylphenoxy)-3-phenylpropan-1-amine
CID 17995344
(E)-4-(2H-1,2-benzoxazin-6-yl)-N-methylbut-3-en-1-amine
CID 18388297
N-methylethanamine;2,4,6-triethylphenol
CID 19419371
N-(2-methylphenoxy)propan-1-amine;hydrochloride
CID 20186783
N-(2-methylphenoxy)propan-1-amine
CID 20186784
N-[2-(piperidin-3-ylmethyl)phenoxy]propan-1-amine
CID 20209521
N-[2,4-bis(2-methylbutan-2-yl)phenoxy]butan-1-amine
CID 20292423

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenoxy)-diethylazanium?
The IUPAC name of (2,6-dimethylphenoxy)-diethylazanium (CID 173223943) is (2,6-dimethylphenoxy)-diethylazanium.
What is the SMILES notation for (2,6-dimethylphenoxy)-diethylazanium?
The canonical SMILES for (2,6-dimethylphenoxy)-diethylazanium is CC[NH+](CC)Oc1c(C)cccc1C.
What is the InChIKey of (2,6-dimethylphenoxy)-diethylazanium?
The InChIKey is JHBYUKPNLHETFK-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H19NO/c1-5-13(6-2)14-12-10(3)8-7-9-11(12)4/h7-9H,5-6H2,1-4H3/p+1.
What are the key properties of (2,6-dimethylphenoxy)-diethylazanium?
(2,6-dimethylphenoxy)-diethylazanium has a molecular weight of 194.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenoxy)-diethylazanium is sourced from PubChem (CID 173223943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).