[hydroxy(phenyl)methyl]-dimethylazanium chloride

C9H14ClNO — CID 53446521

IUPAC[hydroxy(phenyl)methyl]-dimethylazanium chloride
SMILESC[NH+](C)C(O)c1ccccc1.[Cl-]
InChIInChI=1S/C9H13NO.ClH/c1-10(2)9(11)8-6-4-3-5-7-8;/h3-7,9,11H,1-2H3;1H
InChIKeyKIGFTBQVLDFTKB-UHFFFAOYSA-N
MW187.67 g/mol
LogP-3.17
Rot. Bonds2

About [hydroxy(phenyl)methyl]-dimethylazanium chloride

[hydroxy(phenyl)methyl]-dimethylazanium chloride (PubChem CID 53446521) has the molecular formula C9H14ClNO and a molecular weight of 187.67 g/mol. Its IUPAC name is [hydroxy(phenyl)methyl]-dimethylazanium chloride.

Molecular Properties

Compound Name[hydroxy(phenyl)methyl]-dimethylazanium chloride
PubChem CID53446521
Molecular FormulaC9H14ClNO
Molecular Weight187.67 g/mol
Exact Mass187.08
IUPAC Name[hydroxy(phenyl)methyl]-dimethylazanium chloride
SMILESC[NH+](C)C(O)c1ccccc1.[Cl-]
InChIInChI=1S/C9H13NO.ClH/c1-10(2)9(11)8-6-4-3-5-7-8;/h3-7,9,11H,1-2H3;1H
InChIKeyKIGFTBQVLDFTKB-UHFFFAOYSA-N
XLogP-3.17
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.67
LogP ≤ 5-3.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[(1S,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium
CID 7059595
(1S)-1-phenylethanol
CID 157125626
[(1R,2R)-1,3-dihydroxy-1-phenylpropan-2-yl]-dimethylazanium
CID 173093688
cyclodecapentaenyl(methylamino)methanol
CID 129203731
1,2-diphenylethane-1,2-diol
CID 159073808
azane;(1R)-1-phenylethanol
CID 126646564
bis([(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium);iodide;triiodide
CID 139144484
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
cumene;hydrogen peroxide
CID 21225480
(1S,2R)-2-deuterio-1-phenylpropan-1-ol
CID 175690859
ethane;1-phenylpropan-1-ol;bis(yttrium)
CID 161221036
carbanide;(1R)-1-phenylethanol;zinc
CID 177390370

Frequently Asked Questions

What is the IUPAC name of [hydroxy(phenyl)methyl]-dimethylazanium chloride?
The IUPAC name of [hydroxy(phenyl)methyl]-dimethylazanium chloride (CID 53446521) is [hydroxy(phenyl)methyl]-dimethylazanium chloride.
What is the SMILES notation for [hydroxy(phenyl)methyl]-dimethylazanium chloride?
The canonical SMILES for [hydroxy(phenyl)methyl]-dimethylazanium chloride is C[NH+](C)C(O)c1ccccc1.[Cl-].
What is the InChIKey of [hydroxy(phenyl)methyl]-dimethylazanium chloride?
The InChIKey is KIGFTBQVLDFTKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO.ClH/c1-10(2)9(11)8-6-4-3-5-7-8;/h3-7,9,11H,1-2H3;1H.
What are the key properties of [hydroxy(phenyl)methyl]-dimethylazanium chloride?
[hydroxy(phenyl)methyl]-dimethylazanium chloride has a molecular weight of 187.67 g/mol, XLogP of -3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [hydroxy(phenyl)methyl]-dimethylazanium chloride is sourced from PubChem (CID 53446521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).