2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol

C20H27NO — CID 140654230

IUPAC2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol
SMILESCc1cccc(C)c1N(C)Cc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C20H27NO/c1-14-9-7-10-15(2)18(14)21(6)13-16-11-8-12-17(19(16)22)20(3,4)5/h7-12,22H,13H2,1-6H3
InChIKeyHPODWKRDJORGFJ-UHFFFAOYSA-N
MW297.44 g/mol
LogP4.94
Rot. Bonds3

About 2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol

2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol (PubChem CID 140654230) has the molecular formula C20H27NO and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol
PubChem CID140654230
Molecular FormulaC20H27NO
Molecular Weight297.44 g/mol
Exact Mass297.21
IUPAC Name2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol
SMILESCc1cccc(C)c1N(C)Cc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C20H27NO/c1-14-9-7-10-15(2)18(14)21(6)13-16-11-8-12-17(19(16)22)20(3,4)5/h7-12,22H,13H2,1-6H3
InChIKeyHPODWKRDJORGFJ-UHFFFAOYSA-N
XLogP4.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[[1,2,3,5,6,7-hexahydro-s-indacen-4-yl(methyl)amino]methyl]phenol
CID 140795252
2-tert-butyl-6-[(N-methyl-2-propan-2-ylanilino)methyl]phenol
CID 140654415
2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol
CID 22216122
2-tert-butyl-6-methylphenol
CID 16678
2-tert-butyl-6-methylphenol;methane
CID 159779150
2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol
CID 21199770
2-tert-butyl-6-[[cycloheptyl(methyl)amino]methyl]phenol;dichlorozirconium
CID 123752097
bis(2-tert-butyl-6-methylphenol);dichlorotitanium
CID 15872809
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol;bis(propan-2-ol);titanium
CID 134902928
N,N'-bis(2,6-dimethylphenyl)-N,N',2,2-tetramethylpropane-1,3-diamine
CID 155394536
2-(2,2-dimethylpropyl)-6-methylphenol
CID 22013258
2-[(N,2-dimethylanilino)methyl]-6-fluorophenol
CID 112616193

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol?
The IUPAC name of 2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol (CID 140654230) is 2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol is Cc1cccc(C)c1N(C)Cc1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol?
The InChIKey is HPODWKRDJORGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO/c1-14-9-7-10-15(2)18(14)21(6)13-16-11-8-12-17(19(16)22)20(3,4)5/h7-12,22H,13H2,1-6H3.
What are the key properties of 2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol?
2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol has a molecular weight of 297.44 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(N,2,6-trimethylanilino)methyl]phenol is sourced from PubChem (CID 140654230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).