triethyl-[(4-methylphenyl)methyl]azanium hydroxide

C14H25NO — CID 23165760

IUPACtriethyl-[(4-methylphenyl)methyl]azanium hydroxide
SMILESCC[N+](CC)(CC)Cc1ccc(C)cc1.[OH-]
InChIInChI=1S/C14H24N.H2O/c1-5-15(6-2,7-3)12-14-10-8-13(4)9-11-14;/h8-11H,5-7,12H2,1-4H3;1H2/q+1;/p-1
InChIKeyUBCHIUGOPIVQAR-UHFFFAOYSA-M
MW223.36 g/mol
LogP3.19
Rot. Bonds5

About triethyl-[(4-methylphenyl)methyl]azanium hydroxide

triethyl-[(4-methylphenyl)methyl]azanium hydroxide (PubChem CID 23165760) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is triethyl-[(4-methylphenyl)methyl]azanium hydroxide.

Molecular Properties

Compound Nametriethyl-[(4-methylphenyl)methyl]azanium hydroxide
PubChem CID23165760
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Nametriethyl-[(4-methylphenyl)methyl]azanium hydroxide
SMILESCC[N+](CC)(CC)Cc1ccc(C)cc1.[OH-]
InChIInChI=1S/C14H24N.H2O/c1-5-15(6-2,7-3)12-14-10-8-13(4)9-11-14;/h8-11H,5-7,12H2,1-4H3;1H2/q+1;/p-1
InChIKeyUBCHIUGOPIVQAR-UHFFFAOYSA-M
XLogP3.19
TPSA30.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.19
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

triethyl-[(4-fluorophenyl)methyl]azanium
CID 178182552
tributyl-[(4-methylphenyl)methyl]azanium chloride
CID 19429992
tris(benzyl(triethyl)azanium);tribromide
CID 86596066
azane;benzyl(triethyl)azanium;hydrofluoride
CID 174537374
(4-cyanophenyl)methyl-triethylazanium
CID 86051622
(4-ethenylphenyl)methyl-triethylazanium bromide
CID 11437971
triethyl-[(4-phenoxyphenyl)methyl]azanium
CID 19809811
[4-[[diethyl(prop-2-enyl)azaniumyl]methyl]phenyl]methyl-diethyl-prop-2-enylazanium bromide
CID 54610948
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
1-methyl-4-[(4-methylphenyl)methyl]benzene;propane;1,4-xylene
CID 161043198
benzyl(triethyl)azanium;hydrogen carbonate
CID 29687
1-ethyl-4-methylbenzene;propane
CID 144580802

Frequently Asked Questions

What is the IUPAC name of triethyl-[(4-methylphenyl)methyl]azanium hydroxide?
The IUPAC name of triethyl-[(4-methylphenyl)methyl]azanium hydroxide (CID 23165760) is triethyl-[(4-methylphenyl)methyl]azanium hydroxide.
What is the SMILES notation for triethyl-[(4-methylphenyl)methyl]azanium hydroxide?
The canonical SMILES for triethyl-[(4-methylphenyl)methyl]azanium hydroxide is CC[N+](CC)(CC)Cc1ccc(C)cc1.[OH-].
What is the InChIKey of triethyl-[(4-methylphenyl)methyl]azanium hydroxide?
The InChIKey is UBCHIUGOPIVQAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H24N.H2O/c1-5-15(6-2,7-3)12-14-10-8-13(4)9-11-14;/h8-11H,5-7,12H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of triethyl-[(4-methylphenyl)methyl]azanium hydroxide?
triethyl-[(4-methylphenyl)methyl]azanium hydroxide has a molecular weight of 223.36 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl-[(4-methylphenyl)methyl]azanium hydroxide is sourced from PubChem (CID 23165760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).