benzyl(dimethyl)azanium phenoxide

C15H19NO — CID 88771722

IUPACbenzyl(dimethyl)azanium phenoxide
SMILESC[NH+](C)Cc1ccccc1.[O-]c1ccccc1
InChIInChI=1S/C9H13N.C6H6O/c1-10(2)8-9-6-4-3-5-7-9;7-6-4-2-1-3-5-6/h3-7H,8H2,1-2H3;1-5,7H
InChIKeyFZSGNFPQLLIVJV-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.09
Rot. Bonds2

About benzyl(dimethyl)azanium phenoxide

benzyl(dimethyl)azanium phenoxide (PubChem CID 88771722) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is benzyl(dimethyl)azanium phenoxide.

Molecular Properties

Compound Namebenzyl(dimethyl)azanium phenoxide
PubChem CID88771722
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Namebenzyl(dimethyl)azanium phenoxide
SMILESC[NH+](C)Cc1ccccc1.[O-]c1ccccc1
InChIInChI=1S/C9H13N.C6H6O/c1-10(2)8-9-6-4-3-5-7-9;7-6-4-2-1-3-5-6/h3-7H,8H2,1-2H3;1-5,7H
InChIKeyFZSGNFPQLLIVJV-UHFFFAOYSA-N
XLogP1.09
TPSA27.50 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

benzyl(dimethyl)azanium;propane-1-sulfonate
CID 22217691
samarium(3+) triphenoxide
CID 23131979
dipotassium diphenoxide
CID 15819850
hafnium diphenoxide
CID 175882420
tetrasodium;tetraphenoxide
CID 159915376
dilithium diphenoxide
CID 22167155
nickel(2+) diphenoxide
CID 22743825
disodium diphenoxide
CID 15819849
titanium(4+);tribromide;phenoxide
CID 174515680
disodium;hydride;phenoxide
CID 173446882
tantalum(5+);tetrachloride;phenoxide
CID 102588360
benzyl(dimethyl)azanium;tetrakis(2,6-difluoro-3-methylphenyl)boranuide
CID 87935585

Frequently Asked Questions

What is the IUPAC name of benzyl(dimethyl)azanium phenoxide?
The IUPAC name of benzyl(dimethyl)azanium phenoxide (CID 88771722) is benzyl(dimethyl)azanium phenoxide.
What is the SMILES notation for benzyl(dimethyl)azanium phenoxide?
The canonical SMILES for benzyl(dimethyl)azanium phenoxide is C[NH+](C)Cc1ccccc1.[O-]c1ccccc1.
What is the InChIKey of benzyl(dimethyl)azanium phenoxide?
The InChIKey is FZSGNFPQLLIVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N.C6H6O/c1-10(2)8-9-6-4-3-5-7-9;7-6-4-2-1-3-5-6/h3-7H,8H2,1-2H3;1-5,7H.
What are the key properties of benzyl(dimethyl)azanium phenoxide?
benzyl(dimethyl)azanium phenoxide has a molecular weight of 229.32 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl(dimethyl)azanium phenoxide is sourced from PubChem (CID 88771722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).