2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol

C17H29NO — CID 3015719

IUPAC2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol
SMILESCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1N(C)C
InChIInChI=1S/C17H29NO/c1-11-10-12(16(2,3)4)15(19)13(17(5,6)7)14(11)18(8)9/h10,19H,1-9H3
InChIKeyMOGAVOOFUGWHHE-UHFFFAOYSA-N
MW263.42 g/mol
LogP4.36
Rot. Bonds1

About 2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol

2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol (PubChem CID 3015719) has the molecular formula C17H29NO and a molecular weight of 263.42 g/mol. Its IUPAC name is 2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol.

Molecular Properties

Compound Name2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol
PubChem CID3015719
Molecular FormulaC17H29NO
Molecular Weight263.42 g/mol
Exact Mass263.22
IUPAC Name2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol
SMILESCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1N(C)C
InChIInChI=1S/C17H29NO/c1-11-10-12(16(2,3)4)15(19)13(17(5,6)7)14(11)18(8)9/h10,19H,1-9H3
InChIKeyMOGAVOOFUGWHHE-UHFFFAOYSA-N
XLogP4.36
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.42
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol?
The IUPAC name of 2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol (CID 3015719) is 2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol.
What is the SMILES notation for 2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol?
The canonical SMILES for 2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol is Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1N(C)C.
What is the InChIKey of 2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol?
The InChIKey is MOGAVOOFUGWHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO/c1-11-10-12(16(2,3)4)15(19)13(17(5,6)7)14(11)18(8)9/h10,19H,1-9H3.
What are the key properties of 2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol?
2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol has a molecular weight of 263.42 g/mol, XLogP of 4.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-3-(dimethylamino)-4-methylphenol is sourced from PubChem (CID 3015719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).