4-anilino-2,6-dimethylphenol

C14H15NO — CID 25129480

IUPAC4-anilino-2,6-dimethylphenol
SMILESCc1cc(Nc2ccccc2)cc(C)c1O
InChIInChI=1S/C14H15NO/c1-10-8-13(9-11(2)14(10)16)15-12-6-4-3-5-7-12/h3-9,15-16H,1-2H3
InChIKeyZWPWXRQAOFQHDJ-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.75
Rot. Bonds2

About 4-anilino-2,6-dimethylphenol

4-anilino-2,6-dimethylphenol (PubChem CID 25129480) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-anilino-2,6-dimethylphenol.

Molecular Properties

Compound Name4-anilino-2,6-dimethylphenol
PubChem CID25129480
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-anilino-2,6-dimethylphenol
SMILESCc1cc(Nc2ccccc2)cc(C)c1O
InChIInChI=1S/C14H15NO/c1-10-8-13(9-11(2)14(10)16)15-12-6-4-3-5-7-12/h3-9,15-16H,1-2H3
InChIKeyZWPWXRQAOFQHDJ-UHFFFAOYSA-N
XLogP3.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2,6-dimethylphenol?
The IUPAC name of 4-anilino-2,6-dimethylphenol (CID 25129480) is 4-anilino-2,6-dimethylphenol.
What is the SMILES notation for 4-anilino-2,6-dimethylphenol?
The canonical SMILES for 4-anilino-2,6-dimethylphenol is Cc1cc(Nc2ccccc2)cc(C)c1O.
What is the InChIKey of 4-anilino-2,6-dimethylphenol?
The InChIKey is ZWPWXRQAOFQHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-10-8-13(9-11(2)14(10)16)15-12-6-4-3-5-7-12/h3-9,15-16H,1-2H3.
What are the key properties of 4-anilino-2,6-dimethylphenol?
4-anilino-2,6-dimethylphenol has a molecular weight of 213.28 g/mol, XLogP of 3.75, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2,6-dimethylphenol is sourced from PubChem (CID 25129480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).