4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol

C14H23NO2 — CID 65108006

IUPAC4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol
SMILESCCC(C)(O)CNCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H23NO2/c1-5-14(4,17)9-15-8-12-6-10(2)13(16)11(3)7-12/h6-7,15-17H,5,8-9H2,1-4H3
InChIKeyHSFSVWFXPHGQEP-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.26
Rot. Bonds5

About 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol

4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol (PubChem CID 65108006) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol
PubChem CID65108006
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol
SMILESCCC(C)(O)CNCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C14H23NO2/c1-5-14(4,17)9-15-8-12-6-10(2)13(16)11(3)7-12/h6-7,15-17H,5,8-9H2,1-4H3
InChIKeyHSFSVWFXPHGQEP-UHFFFAOYSA-N
XLogP2.26
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol 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 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol (CID 65108006) is 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol is CCC(C)(O)CNCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is HSFSVWFXPHGQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-14(4,17)9-15-8-12-6-10(2)13(16)11(3)7-12/h6-7,15-17H,5,8-9H2,1-4H3.
What are the key properties of 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol?
4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 237.34 g/mol, XLogP of 2.26, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 65108006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).