4-(3,5-dimethylanilino)-2-methylphenol

C15H17NO — CID 166451978

IUPAC4-(3,5-dimethylanilino)-2-methylphenol
SMILESCc1cc(C)cc(Nc2ccc(O)c(C)c2)c1
InChIInChI=1S/C15H17NO/c1-10-6-11(2)8-14(7-10)16-13-4-5-15(17)12(3)9-13/h4-9,16-17H,1-3H3
InChIKeySVERQACUTREAOP-UHFFFAOYSA-N
MW227.31 g/mol
LogP4.06
Rot. Bonds2

About 4-(3,5-dimethylanilino)-2-methylphenol

4-(3,5-dimethylanilino)-2-methylphenol (PubChem CID 166451978) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-(3,5-dimethylanilino)-2-methylphenol.

Molecular Properties

Compound Name4-(3,5-dimethylanilino)-2-methylphenol
PubChem CID166451978
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-(3,5-dimethylanilino)-2-methylphenol
SMILESCc1cc(C)cc(Nc2ccc(O)c(C)c2)c1
InChIInChI=1S/C15H17NO/c1-10-6-11(2)8-14(7-10)16-13-4-5-15(17)12(3)9-13/h4-9,16-17H,1-3H3
InChIKeySVERQACUTREAOP-UHFFFAOYSA-N
XLogP4.06
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(3,5-dimethylanilino)-2-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylanilino)-2-methylphenol?
The IUPAC name of 4-(3,5-dimethylanilino)-2-methylphenol (CID 166451978) is 4-(3,5-dimethylanilino)-2-methylphenol.
What is the SMILES notation for 4-(3,5-dimethylanilino)-2-methylphenol?
The canonical SMILES for 4-(3,5-dimethylanilino)-2-methylphenol is Cc1cc(C)cc(Nc2ccc(O)c(C)c2)c1.
What is the InChIKey of 4-(3,5-dimethylanilino)-2-methylphenol?
The InChIKey is SVERQACUTREAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-6-11(2)8-14(7-10)16-13-4-5-15(17)12(3)9-13/h4-9,16-17H,1-3H3.
What are the key properties of 4-(3,5-dimethylanilino)-2-methylphenol?
4-(3,5-dimethylanilino)-2-methylphenol has a molecular weight of 227.31 g/mol, XLogP of 4.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylanilino)-2-methylphenol is sourced from PubChem (CID 166451978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).