4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol

C13H21NO3 — CID 58461759

IUPAC4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol
SMILESCOc1cc(C(O)CNC(C)(C)C)ccc1O
InChIInChI=1S/C13H21NO3/c1-13(2,3)14-8-11(16)9-5-6-10(15)12(7-9)17-4/h5-7,11,14-16H,8H2,1-4H3
InChIKeyWVGNWNYBARIPKQ-UHFFFAOYSA-N
MW239.31 g/mol
LogP1.82
Rot. Bonds4

About 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol

4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol (PubChem CID 58461759) has the molecular formula C13H21NO3 and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol
PubChem CID58461759
Molecular FormulaC13H21NO3
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol
SMILESCOc1cc(C(O)CNC(C)(C)C)ccc1O
InChIInChI=1S/C13H21NO3/c1-13(2,3)14-8-11(16)9-5-6-10(15)12(7-9)17-4/h5-7,11,14-16H,8H2,1-4H3
InChIKeyWVGNWNYBARIPKQ-UHFFFAOYSA-N
XLogP1.82
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1S)-2-(tert-butylamino)-1-hydroxyethyl]benzene-1,2-diol
CID 24994231
(1R)-2-(tert-butylamino)-1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 125479748
(1S)-2-(tert-butylamino)-1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanol
CID 125479745
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;ethanol
CID 174929036
5-[2-(tert-butylamino)-1-hydroxyethyl]-2-hydroxybenzaldehyde
CID 57367253
CID 153349668
CID 153349668
bis(4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methylphenol);sulfuric acid
CID 127256212
4-[2-[[1,1,1,3,3,3-hexadeuterio-2-(trideuteriomethyl)propan-2-yl]amino]-1-hydroxyethyl]benzene-1,2-diol
CID 71314580
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;methanesulfonic acid
CID 75950939
[4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(3,3-dimethylbutanoyloxy)phenyl] 3,3-dimethylbutanoate
CID 90679687
4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)phenol;methanesulfonic acid
CID 52911505
5-[2-[[(2R)-2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)ethyl]amino]ethyl]-2-methoxyphenol
CID 162972119

Frequently Asked Questions

What is the IUPAC name of 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol?
The IUPAC name of 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol (CID 58461759) is 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol is COc1cc(C(O)CNC(C)(C)C)ccc1O.
What is the InChIKey of 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol?
The InChIKey is WVGNWNYBARIPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO3/c1-13(2,3)14-8-11(16)9-5-6-10(15)12(7-9)17-4/h5-7,11,14-16H,8H2,1-4H3.
What are the key properties of 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol?
4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol has a molecular weight of 239.31 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(tert-butylamino)-1-hydroxyethyl]-2-methoxyphenol is sourced from PubChem (CID 58461759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).