N,N-dihydroxy-2,6-dimethylaniline

C8H11NO2 — CID 89145253

IUPACN,N-dihydroxy-2,6-dimethylaniline
SMILESCc1cccc(C)c1N(O)O
InChIInChI=1S/C8H11NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5,10-11H,1-2H3
InChIKeyHXKOOZTVKPAUEI-UHFFFAOYSA-N
MW153.18 g/mol
LogP1.89
Rot. Bonds1

About N,N-dihydroxy-2,6-dimethylaniline

N,N-dihydroxy-2,6-dimethylaniline (PubChem CID 89145253) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is N,N-dihydroxy-2,6-dimethylaniline.

Molecular Properties

Compound NameN,N-dihydroxy-2,6-dimethylaniline
PubChem CID89145253
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC NameN,N-dihydroxy-2,6-dimethylaniline
SMILESCc1cccc(C)c1N(O)O
InChIInChI=1S/C8H11NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5,10-11H,1-2H3
InChIKeyHXKOOZTVKPAUEI-UHFFFAOYSA-N
XLogP1.89
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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,N-dihydroxy-2,6-dimethylaniline?
The IUPAC name of N,N-dihydroxy-2,6-dimethylaniline (CID 89145253) is N,N-dihydroxy-2,6-dimethylaniline.
What is the SMILES notation for N,N-dihydroxy-2,6-dimethylaniline?
The canonical SMILES for N,N-dihydroxy-2,6-dimethylaniline is Cc1cccc(C)c1N(O)O.
What is the InChIKey of N,N-dihydroxy-2,6-dimethylaniline?
The InChIKey is HXKOOZTVKPAUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-4-3-5-7(2)8(6)9(10)11/h3-5,10-11H,1-2H3.
What are the key properties of N,N-dihydroxy-2,6-dimethylaniline?
N,N-dihydroxy-2,6-dimethylaniline has a molecular weight of 153.18 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-2,6-dimethylaniline is sourced from PubChem (CID 89145253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).