2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol

C23H33NO — CID 11092512

IUPAC2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol
SMILESCc1cccc(C)c1NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H33NO/c1-15-10-9-11-16(2)20(15)24-14-17-12-18(22(3,4)5)13-19(21(17)25)23(6,7)8/h9-13,24-25H,14H2,1-8H3
InChIKeyGSUHXJKMTXZODI-UHFFFAOYSA-N
MW339.52 g/mol
LogP6.22
Rot. Bonds3

About 2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol

2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol (PubChem CID 11092512) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol
PubChem CID11092512
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol
SMILESCc1cccc(C)c1NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C23H33NO/c1-15-10-9-11-16(2)20(15)24-14-17-12-18(22(3,4)5)13-19(21(17)25)23(6,7)8/h9-13,24-25H,14H2,1-8H3
InChIKeyGSUHXJKMTXZODI-UHFFFAOYSA-N
XLogP6.22
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol?
The IUPAC name of 2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol (CID 11092512) is 2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol?
The canonical SMILES for 2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol is Cc1cccc(C)c1NCc1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol?
The InChIKey is GSUHXJKMTXZODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-15-10-9-11-16(2)20(15)24-14-17-12-18(22(3,4)5)13-19(21(17)25)23(6,7)8/h9-13,24-25H,14H2,1-8H3.
What are the key properties of 2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol?
2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol has a molecular weight of 339.52 g/mol, XLogP of 6.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-[(2,6-dimethylanilino)methyl]phenol is sourced from PubChem (CID 11092512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).