1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide

C9H13NO2 — CID 11182835

IUPAC1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide
SMILESC[N+](C)([O-])Cc1ccccc1O
InChIInChI=1S/C9H13NO2/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6,11H,7H2,1-2H3
InChIKeyJYQWLMWNQYVHLI-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.47
Rot. Bonds2

About 1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide

1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide (PubChem CID 11182835) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide.

Molecular Properties

Compound Name1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide
PubChem CID11182835
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide
SMILESC[N+](C)([O-])Cc1ccccc1O
InChIInChI=1S/C9H13NO2/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6,11H,7H2,1-2H3
InChIKeyJYQWLMWNQYVHLI-UHFFFAOYSA-N
XLogP1.47
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-1-(2-methylphenyl)methanamine oxide
CID 134893793
1-(2-hydroxy-5-methylphenyl)-N,N-dimethylmethanamine oxide
CID 11344368
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CID 36689670
magnesium;2-ethylphenol;chloride
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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide?
The IUPAC name of 1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide (CID 11182835) is 1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide.
What is the SMILES notation for 1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide?
The canonical SMILES for 1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide is C[N+](C)([O-])Cc1ccccc1O.
What is the InChIKey of 1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide?
The InChIKey is JYQWLMWNQYVHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6,11H,7H2,1-2H3.
What are the key properties of 1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide?
1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide has a molecular weight of 167.21 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyphenyl)-N,N-dimethylmethanamine oxide is sourced from PubChem (CID 11182835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).