2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol

C18H31NO — CID 613065

IUPAC2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol
SMILESCN(C)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-17(2,3)14-11-13(9-10-19(7)8)12-15(16(14)20)18(4,5)6/h11-12,20H,9-10H2,1-8H3
InChIKeyBUUGTWCORVKPTC-UHFFFAOYSA-N
MW277.45 g/mol
LogP4.09
Rot. Bonds3

About 2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol

2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol (PubChem CID 613065) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol
PubChem CID613065
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC Name2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol
SMILESCN(C)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C18H31NO/c1-17(2,3)14-11-13(9-10-19(7)8)12-15(16(14)20)18(4,5)6/h11-12,20H,9-10H2,1-8H3
InChIKeyBUUGTWCORVKPTC-UHFFFAOYSA-N
XLogP4.09
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 ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-Di-tert-butyl-4-methylphenol
CID 31404
Desvenlafaxine
CID 125017
Tolterodine
CID 443879
Tapentadol
CID 9838022
2,4,6-Tris((dimethylamino)methyl)phenol
CID 7026
2-tert-Butyl-4-methylphenol
CID 17004
2,6-Di-tert-butyl-4-ethylphenol
CID 20087
2,4-Di-tert-pentylphenol
CID 8455
2,4,6-Tri-tert-butylphenol
CID 12902
4-sec-Butyl-2,6-di-tert-butylphenol
CID 86583
Hordenine
CID 68313
Tyrphostin 9
CID 5614

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol (CID 613065) is 2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol is CN(C)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1.
What is the InChIKey of 2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol?
The InChIKey is BUUGTWCORVKPTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-17(2,3)14-11-13(9-10-19(7)8)12-15(16(14)20)18(4,5)6/h11-12,20H,9-10H2,1-8H3.
What are the key properties of 2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol?
2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol has a molecular weight of 277.45 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[2-(dimethylamino)ethyl]phenol is sourced from PubChem (CID 613065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).