2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol

C11H17NO2 — CID 82112148

IUPAC2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CNO)c(C)c1
InChIInChI=1S/C11H17NO2/c1-7-4-8(2)11(9(3)5-7)10(13)6-12-14/h4-5,10,12-14H,6H2,1-3H3
InChIKeyAWLJGATWYJCNML-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.62
Rot. Bonds3

About 2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol

2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol (PubChem CID 82112148) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol.

Molecular Properties

Compound Name2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol
PubChem CID82112148
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol
SMILESCc1cc(C)c(C(O)CNO)c(C)c1
InChIInChI=1S/C11H17NO2/c1-7-4-8(2)11(9(3)5-7)10(13)6-12-14/h4-5,10,12-14H,6H2,1-3H3
InChIKeyAWLJGATWYJCNML-UHFFFAOYSA-N
XLogP1.62
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(propylamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 62774498
2-(2-methylanilino)-1-(2,4,6-trimethylphenyl)ethanol
CID 82123675
2-[2-(dimethylamino)ethylamino]-1-(2,4,6-trimethylphenyl)ethanol
CID 112510446
2-[(4-fluorophenyl)methylamino]-1-(2,4,6-trimethylphenyl)ethanol
CID 82314891
3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol
CID 115816847
2-[(2-methylcyclohexyl)amino]-1-(2,4,6-trimethylphenyl)ethanol
CID 82314895
1-(2,4,6-trimethylphenyl)heptan-1-ol
CID 65148082
2-nitro-1-(2,4,6-trimethylphenyl)ethanol
CID 102401511
(1R)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
CID 83093060
(1S)-2-azido-1-(2,4,6-trimethylphenyl)ethanol
CID 83092486
1-(4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanol
CID 82315849
2-(hydroxyamino)-1-(2-methoxy-4,5-dimethylphenyl)ethanol
CID 82113342

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol?
The IUPAC name of 2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol (CID 82112148) is 2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol.
What is the SMILES notation for 2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol?
The canonical SMILES for 2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol is Cc1cc(C)c(C(O)CNO)c(C)c1.
What is the InChIKey of 2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol?
The InChIKey is AWLJGATWYJCNML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-7-4-8(2)11(9(3)5-7)10(13)6-12-14/h4-5,10,12-14H,6H2,1-3H3.
What are the key properties of 2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol?
2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol has a molecular weight of 195.26 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol is sourced from PubChem (CID 82112148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).