N-(2,3,6-trimethylphenyl)hydroxylamine

C9H13NO — CID 134985993

IUPACN-(2,3,6-trimethylphenyl)hydroxylamine
SMILESCc1ccc(C)c(NO)c1C
InChIInChI=1S/C9H13NO/c1-6-4-5-7(2)9(10-11)8(6)3/h4-5,10-11H,1-3H3
InChIKeyOQMINWSZIRFKTE-UHFFFAOYSA-N
MW151.21 g/mol
LogP2.41
Rot. Bonds1

About N-(2,3,6-trimethylphenyl)hydroxylamine

N-(2,3,6-trimethylphenyl)hydroxylamine (PubChem CID 134985993) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is N-(2,3,6-trimethylphenyl)hydroxylamine.

Molecular Properties

Compound NameN-(2,3,6-trimethylphenyl)hydroxylamine
PubChem CID134985993
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC NameN-(2,3,6-trimethylphenyl)hydroxylamine
SMILESCc1ccc(C)c(NO)c1C
InChIInChI=1S/C9H13NO/c1-6-4-5-7(2)9(10-11)8(6)3/h4-5,10-11H,1-3H3
InChIKeyOQMINWSZIRFKTE-UHFFFAOYSA-N
XLogP2.41
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,6-trimethylphenyl)hydroxylamine?
The IUPAC name of N-(2,3,6-trimethylphenyl)hydroxylamine (CID 134985993) is N-(2,3,6-trimethylphenyl)hydroxylamine.
What is the SMILES notation for N-(2,3,6-trimethylphenyl)hydroxylamine?
The canonical SMILES for N-(2,3,6-trimethylphenyl)hydroxylamine is Cc1ccc(C)c(NO)c1C.
What is the InChIKey of N-(2,3,6-trimethylphenyl)hydroxylamine?
The InChIKey is OQMINWSZIRFKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-6-4-5-7(2)9(10-11)8(6)3/h4-5,10-11H,1-3H3.
What are the key properties of N-(2,3,6-trimethylphenyl)hydroxylamine?
N-(2,3,6-trimethylphenyl)hydroxylamine has a molecular weight of 151.21 g/mol, XLogP of 2.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,6-trimethylphenyl)hydroxylamine is sourced from PubChem (CID 134985993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).