2-tert-butyl-4-methyl-6-(propylideneamino)phenol

C14H21NO — CID 23578577

IUPAC2-tert-butyl-4-methyl-6-(propylideneamino)phenol
SMILESCC/C=N/c1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C14H21NO/c1-6-7-15-12-9-10(2)8-11(13(12)16)14(3,4)5/h7-9,16H,6H2,1-5H3/b15-7+
InChIKeyMBKRFZGCHQIXFG-VIZOYTHASA-N
MW219.33 g/mol
LogP4.11
Rot. Bonds2

About 2-tert-butyl-4-methyl-6-(propylideneamino)phenol

2-tert-butyl-4-methyl-6-(propylideneamino)phenol (PubChem CID 23578577) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-6-(propylideneamino)phenol.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-6-(propylideneamino)phenol
PubChem CID23578577
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name2-tert-butyl-4-methyl-6-(propylideneamino)phenol
SMILESCC/C=N/c1cc(C)cc(C(C)(C)C)c1O
InChIInChI=1S/C14H21NO/c1-6-7-15-12-9-10(2)8-11(13(12)16)14(3,4)5/h7-9,16H,6H2,1-5H3/b15-7+
InChIKeyMBKRFZGCHQIXFG-VIZOYTHASA-N
XLogP4.11
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,6-ditert-butyl-4-methylphenol;methanol
CID 161478470
tris(2,6-ditert-butyl-4-methylphenol);samarium
CID 11193670
Phenol, 2,6-bis(1,1-dimethylethyl)-4-methyl-, sodium salt
CID 87970249
2,6-ditert-butyl-4-methylphenol;ethane-1,2-diol
CID 175362699
2,6-ditert-butyl-4-methylphenol;zirconium;hydrochloride
CID 87931050
2,6-ditert-butyl-4-methylphenol;titanium(2+);dichloride
CID 87485865
2-tert-butyl-4,6-dimethylphenol
CID 87814182
2-tert-butyl-6-(3-tert-butyl-2-hydroxy-5-methylphenyl)sulfanyl-4-methylphenol;sulfane
CID 174925209
bis(2,6-ditert-butyl-4-methylphenol);bis(1,2,3,4,5-pentamethylcyclopentane);samarium
CID 23229297
2,6-ditert-butyl-4-methylphenol;hydroxy(oxo)phosphanium
CID 135147079
2-tert-butyl-6-[3-(3-tert-butyl-2-hydroxy-5-methylphenyl)propyl]-4-methylphenol
CID 24841439
2-tert-butyl-6-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;carbanide;titanium(2+)
CID 15770367

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-6-(propylideneamino)phenol?
The IUPAC name of 2-tert-butyl-4-methyl-6-(propylideneamino)phenol (CID 23578577) is 2-tert-butyl-4-methyl-6-(propylideneamino)phenol.
What is the SMILES notation for 2-tert-butyl-4-methyl-6-(propylideneamino)phenol?
The canonical SMILES for 2-tert-butyl-4-methyl-6-(propylideneamino)phenol is CC/C=N/c1cc(C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-4-methyl-6-(propylideneamino)phenol?
The InChIKey is MBKRFZGCHQIXFG-VIZOYTHASA-N. The full InChI is InChI=1S/C14H21NO/c1-6-7-15-12-9-10(2)8-11(13(12)16)14(3,4)5/h7-9,16H,6H2,1-5H3/b15-7+.
What are the key properties of 2-tert-butyl-4-methyl-6-(propylideneamino)phenol?
2-tert-butyl-4-methyl-6-(propylideneamino)phenol has a molecular weight of 219.33 g/mol, XLogP of 4.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-6-(propylideneamino)phenol is sourced from PubChem (CID 23578577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).