2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol

C11H16FNO3 — CID 84792671

IUPAC2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
SMILESCNCC(O)c1cc(C)c(O)c(F)c1OC
InChIInChI=1S/C11H16FNO3/c1-6-4-7(8(14)5-13-2)11(16-3)9(12)10(6)15/h4,8,13-15H,5H2,1-3H3
InChIKeyBWIIPZZHQICHKL-UHFFFAOYSA-N
MW229.25 g/mol
LogP1.10
Rot. Bonds4

About 2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol

2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol (PubChem CID 84792671) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol.

Molecular Properties

Compound Name2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
PubChem CID84792671
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
SMILESCNCC(O)c1cc(C)c(O)c(F)c1OC
InChIInChI=1S/C11H16FNO3/c1-6-4-7(8(14)5-13-2)11(16-3)9(12)10(6)15/h4,8,13-15H,5H2,1-3H3
InChIKeyBWIIPZZHQICHKL-UHFFFAOYSA-N
XLogP1.10
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-amino-1-hydroxyethyl)-3-methoxy-2,6-dimethylphenol
CID 84781748
1-(5-bromo-2,4-dimethoxy-3-methylphenyl)-2-(methylamino)ethanol
CID 117489349
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanol
CID 117375331
1-(5-chloro-2,4-difluoro-3-methoxyphenyl)-2-(methylamino)ethanol
CID 117382385
1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 84782753
1-[3-fluoro-2-methoxy-5-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359832
1-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117359829
2-chloro-4-[1-hydroxy-2-(methylamino)ethyl]-3,6-dimethylphenol
CID 84793313
3-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-5-propan-2-ylphenol
CID 117351342
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
CID 117301901
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol?
The IUPAC name of 2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol (CID 84792671) is 2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol.
What is the SMILES notation for 2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol?
The canonical SMILES for 2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol is CNCC(O)c1cc(C)c(O)c(F)c1OC.
What is the InChIKey of 2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol?
The InChIKey is BWIIPZZHQICHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-6-4-7(8(14)5-13-2)11(16-3)9(12)10(6)15/h4,8,13-15H,5H2,1-3H3.
What are the key properties of 2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol?
2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol has a molecular weight of 229.25 g/mol, XLogP of 1.10, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol is sourced from PubChem (CID 84792671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).