2,6-dimethyl-4-(4-methylanilino)phenol

C15H17NO — CID 767399

IUPAC2,6-dimethyl-4-(4-methylanilino)phenol
SMILESCc1ccc(Nc2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C15H17NO/c1-10-4-6-13(7-5-10)16-14-8-11(2)15(17)12(3)9-14/h4-9,16-17H,1-3H3
InChIKeyGLJKSGRGQVRXNX-UHFFFAOYSA-N
MW227.31 g/mol
LogP4.06
Rot. Bonds2

About 2,6-dimethyl-4-(4-methylanilino)phenol

2,6-dimethyl-4-(4-methylanilino)phenol (PubChem CID 767399) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-methylanilino)phenol.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-methylanilino)phenol
PubChem CID767399
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2,6-dimethyl-4-(4-methylanilino)phenol
SMILESCc1ccc(Nc2cc(C)c(O)c(C)c2)cc1
InChIInChI=1S/C15H17NO/c1-10-4-6-13(7-5-10)16-14-8-11(2)15(17)12(3)9-14/h4-9,16-17H,1-3H3
InChIKeyGLJKSGRGQVRXNX-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'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-methylanilino)phenol?
The IUPAC name of 2,6-dimethyl-4-(4-methylanilino)phenol (CID 767399) is 2,6-dimethyl-4-(4-methylanilino)phenol.
What is the SMILES notation for 2,6-dimethyl-4-(4-methylanilino)phenol?
The canonical SMILES for 2,6-dimethyl-4-(4-methylanilino)phenol is Cc1ccc(Nc2cc(C)c(O)c(C)c2)cc1.
What is the InChIKey of 2,6-dimethyl-4-(4-methylanilino)phenol?
The InChIKey is GLJKSGRGQVRXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-10-4-6-13(7-5-10)16-14-8-11(2)15(17)12(3)9-14/h4-9,16-17H,1-3H3.
What are the key properties of 2,6-dimethyl-4-(4-methylanilino)phenol?
2,6-dimethyl-4-(4-methylanilino)phenol 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 2,6-dimethyl-4-(4-methylanilino)phenol is sourced from PubChem (CID 767399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).