4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol

C15H25NO2 — CID 114941193

IUPAC4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol
SMILESCCOC(C)(C)CNCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C15H25NO2/c1-6-18-15(4,5)10-16-9-13-7-11(2)14(17)12(3)8-13/h7-8,16-17H,6,9-10H2,1-5H3
InChIKeyOETNGNZHITZTQB-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.91
Rot. Bonds6

About 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol

4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol (PubChem CID 114941193) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol
PubChem CID114941193
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol
SMILESCCOC(C)(C)CNCc1cc(C)c(O)c(C)c1
InChIInChI=1S/C15H25NO2/c1-6-18-15(4,5)10-16-9-13-7-11(2)14(17)12(3)8-13/h7-8,16-17H,6,9-10H2,1-5H3
InChIKeyOETNGNZHITZTQB-UHFFFAOYSA-N
XLogP2.91
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(2-hydroxy-2-methylbutyl)amino]methyl]-2,6-dimethylphenol
CID 65108006
N-[(3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114941490
N-[(3-bromophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 114940760
2-ethoxy-N-[(3-fluorophenyl)methyl]-2-methylpropan-1-amine
CID 114940815
2-ethoxy-2-methyl-N-[(3-methyl-2-pyridinyl)methyl]propan-1-amine
CID 114942154
4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-5-(hydroxymethyl)-2-methylpyridin-3-ol
CID 114941187
2-ethoxy-6-[[(2-ethoxy-2-methylpropyl)amino]methyl]phenol
CID 114941057
2,6-dimethyl-4-[(2-methylbutylamino)methyl]phenol
CID 62691567
2-ethoxy-2-methyl-N-[(4-phenylphenyl)methyl]propan-1-amine
CID 114941062
2-ethoxy-2-methyl-N-[(4-trimethylsilylphenyl)methyl]propan-1-amine
CID 103438131
N-[(4-bromo-3-chlorophenyl)methyl]-2-ethoxy-2-methylpropan-1-amine
CID 103581873
4-[(4-ethylanilino)methyl]-2,6-dimethylphenol
CID 28932346

Frequently Asked Questions

What is the IUPAC name of 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol?
The IUPAC name of 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol (CID 114941193) is 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol is CCOC(C)(C)CNCc1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol?
The InChIKey is OETNGNZHITZTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-6-18-15(4,5)10-16-9-13-7-11(2)14(17)12(3)8-13/h7-8,16-17H,6,9-10H2,1-5H3.
What are the key properties of 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol?
4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol has a molecular weight of 251.37 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2-ethoxy-2-methylpropyl)amino]methyl]-2,6-dimethylphenol is sourced from PubChem (CID 114941193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).