2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol

C17H29NO2 — CID 2288440

IUPAC2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol
SMILESCC(C)(C)c1cc(CNCCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H29NO2/c1-16(2,3)13-9-12(11-18-7-8-19)10-14(15(13)20)17(4,5)6/h9-10,18-20H,7-8,11H2,1-6H3
InChIKeySVERUTBRTXWUPT-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.07
Rot. Bonds4

About 2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol

2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol (PubChem CID 2288440) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol.

Molecular Properties

Compound Name2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol
PubChem CID2288440
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol
SMILESCC(C)(C)c1cc(CNCCO)cc(C(C)(C)C)c1O
InChIInChI=1S/C17H29NO2/c1-16(2,3)13-9-12(11-18-7-8-19)10-14(15(13)20)17(4,5)6/h9-10,18-20H,7-8,11H2,1-6H3
InChIKeySVERUTBRTXWUPT-UHFFFAOYSA-N
XLogP3.07
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol?
The IUPAC name of 2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol (CID 2288440) is 2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol.
What is the SMILES notation for 2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol?
The canonical SMILES for 2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol is CC(C)(C)c1cc(CNCCO)cc(C(C)(C)C)c1O.
What is the InChIKey of 2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol?
The InChIKey is SVERUTBRTXWUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-16(2,3)13-9-12(11-18-7-8-19)10-14(15(13)20)17(4,5)6/h9-10,18-20H,7-8,11H2,1-6H3.
What are the key properties of 2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol?
2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol has a molecular weight of 279.42 g/mol, XLogP of 3.07, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-4-[(2-hydroxyethylamino)methyl]phenol is sourced from PubChem (CID 2288440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).