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

C20H36N2O — CID 6456194

IUPAC2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
SMILESCN(C)CCN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H36N2O/c1-19(2,3)16-12-15(14-22(9)11-10-21(7)8)13-17(18(16)23)20(4,5)6/h12-13,23H,10-11,14H2,1-9H3
InChIKeyASCMQKXLTWCRQZ-UHFFFAOYSA-N
MW320.52 g/mol
LogP3.98
Rot. Bonds5

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

2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol (PubChem CID 6456194) has the molecular formula C20H36N2O and a molecular weight of 320.52 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
PubChem CID6456194
Molecular FormulaC20H36N2O
Molecular Weight320.52 g/mol
Exact Mass320.28
IUPAC Name2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol
SMILESCN(C)CCN(C)Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1
InChIInChI=1S/C20H36N2O/c1-19(2,3)16-12-15(14-22(9)11-10-21(7)8)13-17(18(16)23)20(4,5)6/h12-13,23H,10-11,14H2,1-9H3
InChIKeyASCMQKXLTWCRQZ-UHFFFAOYSA-N
XLogP3.98
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.52
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol (CID 6456194) is 2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol is CN(C)CCN(C)Cc1cc(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-methylamino]methyl]phenol?
The InChIKey is ASCMQKXLTWCRQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2O/c1-19(2,3)16-12-15(14-22(9)11-10-21(7)8)13-17(18(16)23)20(4,5)6/h12-13,23H,10-11,14H2,1-9H3.
What are the key properties of 2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol?
2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol has a molecular weight of 320.52 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[[2-(dimethylamino)ethyl-methylamino]methyl]phenol is sourced from PubChem (CID 6456194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).