4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol

C19H33NO3 — CID 612906

IUPAC4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(CN(CCO)CCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H33NO3/c1-18(2,3)15-11-14(13-20(7-9-21)8-10-22)12-16(17(15)23)19(4,5)6/h11-12,21-23H,7-10,13H2,1-6H3
InChIKeyWUXCIWVRVOPALZ-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.77
Rot. Bonds6

About 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol

4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol (PubChem CID 612906) has the molecular formula C19H33NO3 and a molecular weight of 323.48 g/mol. Its IUPAC name is 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol.

Molecular Properties

Compound Name4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
PubChem CID612906
Molecular FormulaC19H33NO3
Molecular Weight323.48 g/mol
Exact Mass323.25
IUPAC Name4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol
SMILESCC(C)(C)c1cc(CN(CCO)CCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C19H33NO3/c1-18(2,3)15-11-14(13-20(7-9-21)8-10-22)12-16(17(15)23)19(4,5)6/h11-12,21-23H,7-10,13H2,1-6H3
InChIKeyWUXCIWVRVOPALZ-UHFFFAOYSA-N
XLogP2.77
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol?
The IUPAC name of 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol (CID 612906) is 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol.
What is the SMILES notation for 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol?
The canonical SMILES for 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol is CC(C)(C)c1cc(CN(CCO)CCO)cc(C(C)(C)C)c1O.
What is the InChIKey of 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol?
The InChIKey is WUXCIWVRVOPALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33NO3/c1-18(2,3)15-11-14(13-20(7-9-21)8-10-22)12-16(17(15)23)19(4,5)6/h11-12,21-23H,7-10,13H2,1-6H3.
What are the key properties of 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol?
4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol has a molecular weight of 323.48 g/mol, XLogP of 2.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[bis(2-hydroxyethyl)amino]methyl]-2,6-ditert-butylphenol is sourced from PubChem (CID 612906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).