2,6-dimethyl-4-(pyridin-3-ylamino)phenol

C13H14N2O — CID 14498361

IUPAC2,6-dimethyl-4-(pyridin-3-ylamino)phenol
SMILESCc1cc(Nc2cccnc2)cc(C)c1O
InChIInChI=1S/C13H14N2O/c1-9-6-12(7-10(2)13(9)16)15-11-4-3-5-14-8-11/h3-8,15-16H,1-2H3
InChIKeyRSCFQERIIZIQIX-UHFFFAOYSA-N
MW214.27 g/mol
LogP3.15
Rot. Bonds2

About 2,6-dimethyl-4-(pyridin-3-ylamino)phenol

2,6-dimethyl-4-(pyridin-3-ylamino)phenol (PubChem CID 14498361) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 2,6-dimethyl-4-(pyridin-3-ylamino)phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-(pyridin-3-ylamino)phenol
PubChem CID14498361
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name2,6-dimethyl-4-(pyridin-3-ylamino)phenol
SMILESCc1cc(Nc2cccnc2)cc(C)c1O
InChIInChI=1S/C13H14N2O/c1-9-6-12(7-10(2)13(9)16)15-11-4-3-5-14-8-11/h3-8,15-16H,1-2H3
InChIKeyRSCFQERIIZIQIX-UHFFFAOYSA-N
XLogP3.15
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(pyridin-3-ylamino)phenol?
The IUPAC name of 2,6-dimethyl-4-(pyridin-3-ylamino)phenol (CID 14498361) is 2,6-dimethyl-4-(pyridin-3-ylamino)phenol.
What is the SMILES notation for 2,6-dimethyl-4-(pyridin-3-ylamino)phenol?
The canonical SMILES for 2,6-dimethyl-4-(pyridin-3-ylamino)phenol is Cc1cc(Nc2cccnc2)cc(C)c1O.
What is the InChIKey of 2,6-dimethyl-4-(pyridin-3-ylamino)phenol?
The InChIKey is RSCFQERIIZIQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c1-9-6-12(7-10(2)13(9)16)15-11-4-3-5-14-8-11/h3-8,15-16H,1-2H3.
What are the key properties of 2,6-dimethyl-4-(pyridin-3-ylamino)phenol?
2,6-dimethyl-4-(pyridin-3-ylamino)phenol has a molecular weight of 214.27 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(pyridin-3-ylamino)phenol is sourced from PubChem (CID 14498361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).