2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol

C15H25NO2 — CID 21199770

IUPAC2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol
SMILESCCN(CCO)Cc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C15H25NO2/c1-5-16(9-10-17)11-12-7-6-8-13(14(12)18)15(2,3)4/h6-8,17-18H,5,9-11H2,1-4H3
InChIKeyPEGCPKJGDSSZCS-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.50
Rot. Bonds5

About 2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol

2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol (PubChem CID 21199770) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol
PubChem CID21199770
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol
SMILESCCN(CCO)Cc1cccc(C(C)(C)C)c1O
InChIInChI=1S/C15H25NO2/c1-5-16(9-10-17)11-12-7-6-8-13(14(12)18)15(2,3)4/h6-8,17-18H,5,9-11H2,1-4H3
InChIKeyPEGCPKJGDSSZCS-UHFFFAOYSA-N
XLogP2.50
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol?
The IUPAC name of 2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol (CID 21199770) is 2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol is CCN(CCO)Cc1cccc(C(C)(C)C)c1O.
What is the InChIKey of 2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol?
The InChIKey is PEGCPKJGDSSZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-5-16(9-10-17)11-12-7-6-8-13(14(12)18)15(2,3)4/h6-8,17-18H,5,9-11H2,1-4H3.
What are the key properties of 2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol?
2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol has a molecular weight of 251.37 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol is sourced from PubChem (CID 21199770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).