2,4-ditert-butyl-6-(diethylamino)phenol

C18H31NO — CID 90717515

IUPAC2,4-ditert-butyl-6-(diethylamino)phenol
SMILESCCN(CC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H31NO/c1-9-19(10-2)15-12-13(17(3,4)5)11-14(16(15)20)18(6,7)8/h11-12,20H,9-10H2,1-8H3
InChIKeyNHAMIIMXMWRAFJ-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.83
Rot. Bonds3

About 2,4-ditert-butyl-6-(diethylamino)phenol

2,4-ditert-butyl-6-(diethylamino)phenol (PubChem CID 90717515) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2,4-ditert-butyl-6-(diethylamino)phenol.

Molecular Properties

Compound Name2,4-ditert-butyl-6-(diethylamino)phenol
PubChem CID90717515
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2,4-ditert-butyl-6-(diethylamino)phenol
SMILESCCN(CC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O
InChIInChI=1S/C18H31NO/c1-9-19(10-2)15-12-13(17(3,4)5)11-14(16(15)20)18(6,7)8/h11-12,20H,9-10H2,1-8H3
InChIKeyNHAMIIMXMWRAFJ-UHFFFAOYSA-N
XLogP4.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,4-ditert-butyl-6-(diethylamino)phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-ditert-butyl-6-(3,5-ditert-butyl-2-hydroxy-N-propylanilino)phenol
CID 102041593
2,4-ditert-butyl-6-(dimethylamino)phenol
CID 14270373
2-[N-(2-aminoethyl)-3,5-ditert-butyl-2-hydroxyanilino]-4,6-ditert-butylphenol
CID 70700395
2,4-ditert-butyl-6-[3,5-ditert-butyl-2-hydroxy-N-(2-methoxyethyl)anilino]phenol
CID 102041591
CID 135046337
CID 135046337
2,6-ditert-butyl-4-[2,4,4-tris(3,5-ditert-butyl-4-hydroxyphenyl)pentan-2-yl]phenol
CID 141133723
2,6-ditert-butyl-4-(2-methylheptan-2-yl)phenol
CID 20549645
2-(aminomethyl)-4,6-ditert-butylphenol
CID 12652148
2-tert-butyl-6-methyl-4-(2-methylbutan-2-yl)phenol
CID 20689836
CID 173199978
CID 173199978
2,4-ditert-butyl-6-methylphenol;ethane;ethoxyphosphane;propane
CID 142081477
2-[[4-[bis(3,5-ditert-butyl-2-hydroxyphenyl)methyl]phenyl]-(3,5-ditert-butyl-2-hydroxyphenyl)methyl]-4,6-ditert-butylphenol
CID 102598730

Frequently Asked Questions

What is the IUPAC name of 2,4-ditert-butyl-6-(diethylamino)phenol?
The IUPAC name of 2,4-ditert-butyl-6-(diethylamino)phenol (CID 90717515) is 2,4-ditert-butyl-6-(diethylamino)phenol.
What is the SMILES notation for 2,4-ditert-butyl-6-(diethylamino)phenol?
The canonical SMILES for 2,4-ditert-butyl-6-(diethylamino)phenol is CCN(CC)c1cc(C(C)(C)C)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,4-ditert-butyl-6-(diethylamino)phenol?
The InChIKey is NHAMIIMXMWRAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-9-19(10-2)15-12-13(17(3,4)5)11-14(16(15)20)18(6,7)8/h11-12,20H,9-10H2,1-8H3.
What are the key properties of 2,4-ditert-butyl-6-(diethylamino)phenol?
2,4-ditert-butyl-6-(diethylamino)phenol has a molecular weight of 277.45 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-ditert-butyl-6-(diethylamino)phenol is sourced from PubChem (CID 90717515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).