decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride

C20H36ClNO — CID 141352392

IUPACdecyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride
SMILESCCCCCCCCCC[N+](C)(C)Cc1ccccc1CO.[Cl-]
InChIInChI=1S/C20H36NO.ClH/c1-4-5-6-7-8-9-10-13-16-21(2,3)17-19-14-11-12-15-20(19)18-22;/h11-12,14-15,22H,4-10,13,16-18H2,1-3H3;1H/q+1;/p-1
InChIKeyRCGWNHGPQVGYAG-UHFFFAOYSA-M
MW341.97 g/mol
LogP1.90
Rot. Bonds12

About decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride

decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride (PubChem CID 141352392) has the molecular formula C20H36ClNO and a molecular weight of 341.97 g/mol. Its IUPAC name is decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride.

Molecular Properties

Compound Namedecyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride
PubChem CID141352392
Molecular FormulaC20H36ClNO
Molecular Weight341.97 g/mol
Exact Mass341.25
IUPAC Namedecyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride
SMILESCCCCCCCCCC[N+](C)(C)Cc1ccccc1CO.[Cl-]
InChIInChI=1S/C20H36NO.ClH/c1-4-5-6-7-8-9-10-13-16-21(2,3)17-19-14-11-12-15-20(19)18-22;/h11-12,14-15,22H,4-10,13,16-18H2,1-3H3;1H/q+1;/p-1
InChIKeyRCGWNHGPQVGYAG-UHFFFAOYSA-M
XLogP1.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.97
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

dodecyl-dimethyl-(naphthalen-1-ylmethyl)azanium hydroxide
CID 88833984
benzyl-dodecyl-dimethylazanium;ethanol;chloride
CID 87709845
hexadecyl-[[2-(1-hydroxyethyl)phenyl]methyl]-dimethylazanium
CID 122611057
(2-ethenylphenyl)methyl-dimethyl-octadecylazanium chloride
CID 18541931
3-hydroxypropyl-[[2-[[3-hydroxypropyl(dimethyl)azaniumyl]methyl]phenyl]methyl]-dimethylazanium
CID 12034190
benzyl-heptyl-dimethylazanium chloride
CID 23274918
bis(benzyl-dimethyl-tetradecylazanium);dichloride;hydrate
CID 158851998
bis(benzyl-dimethyl-tetradecylazanium);dichloride;dihydrate
CID 159396332
benzyl-dimethyl-octadecylazanium;benzyl-hexadecyl-dimethylazanium
CID 159179523
benzyl-dimethyl-octylazanium
CID 13741
(2-octylphenyl)methanol
CID 19826681
benzyl-dodecyl-dimethylazanium bromide
CID 23705

Frequently Asked Questions

What is the IUPAC name of decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride?
The IUPAC name of decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride (CID 141352392) is decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride.
What is the SMILES notation for decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride?
The canonical SMILES for decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride is CCCCCCCCCC[N+](C)(C)Cc1ccccc1CO.[Cl-].
What is the InChIKey of decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride?
The InChIKey is RCGWNHGPQVGYAG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H36NO.ClH/c1-4-5-6-7-8-9-10-13-16-21(2,3)17-19-14-11-12-15-20(19)18-22;/h11-12,14-15,22H,4-10,13,16-18H2,1-3H3;1H/q+1;/p-1.
What are the key properties of decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride?
decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride has a molecular weight of 341.97 g/mol, XLogP of 1.90, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for decyl-[[2-(hydroxymethyl)phenyl]methyl]-dimethylazanium chloride is sourced from PubChem (CID 141352392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).