2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol

C23H33NO — CID 174772917

IUPAC2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol
SMILESCC(C)c1cccc(C(C)C)c1NCc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C23H33NO/c1-15(2)18-11-9-12-19(16(3)4)21(18)24-14-17-10-8-13-20(22(17)25)23(5,6)7/h8-13,15-16,24-25H,14H2,1-7H3
InChIKeyIITXOEBPCYRYJD-UHFFFAOYSA-N
MW339.52 g/mol
LogP6.55
Rot. Bonds5

About 2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol

2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol (PubChem CID 174772917) has the molecular formula C23H33NO and a molecular weight of 339.52 g/mol. Its IUPAC name is 2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol
PubChem CID174772917
Molecular FormulaC23H33NO
Molecular Weight339.52 g/mol
Exact Mass339.26
IUPAC Name2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol
SMILESCC(C)c1cccc(C(C)C)c1NCc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C23H33NO/c1-15(2)18-11-9-12-19(16(3)4)21(18)24-14-17-10-8-13-20(22(17)25)23(5,6)7/h8-13,15-16,24-25H,14H2,1-7H3
InChIKeyIITXOEBPCYRYJD-UHFFFAOYSA-N
XLogP6.55
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.52
LogP ≤ 56.55
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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Related Compounds

2-[[2,6-di(propan-2-yl)anilino]methyl]-6-phenylphenol
CID 174772916
2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxyphenyl)methylamino]propylamino]methyl]phenol
CID 123908661
2-tert-butyl-6-[(N-methyl-2-propan-2-ylanilino)methyl]phenol
CID 140654415
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol;bis(propan-2-ol);titanium
CID 134902928
2-tert-butyl-6-[(2-hydroxyethylamino)methyl]phenol
CID 21199225
2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169384285
2-bromo-6-[(2-propan-2-ylanilino)methyl]phenol
CID 61390242
2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol
CID 139768859
1-tert-butyl-2,3-di(propan-2-yl)benzene
CID 58827360
1-tert-butyl-2-methyl-3-propan-2-ylbenzene;ethane;uranium;dihydrofluoride
CID 177342998
2,6-ditert-butylphenol;N-ethylethanamine
CID 71675640
2-tert-butyl-6-propan-2-ylbenzenethiol
CID 175036123

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol?
The IUPAC name of 2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol (CID 174772917) is 2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol is CC(C)c1cccc(C(C)C)c1NCc1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol?
The InChIKey is IITXOEBPCYRYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33NO/c1-15(2)18-11-9-12-19(16(3)4)21(18)24-14-17-10-8-13-20(22(17)25)23(5,6)7/h8-13,15-16,24-25H,14H2,1-7H3.
What are the key properties of 2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol?
2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol has a molecular weight of 339.52 g/mol, XLogP of 6.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol is sourced from PubChem (CID 174772917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).