1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol

C11H16FNO2 — CID 84782753

IUPAC1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c(F)cc1C
InChIInChI=1S/C11H16FNO2/c1-7-4-9(12)11(15-3)5-8(7)10(14)6-13-2/h4-5,10,13-14H,6H2,1-3H3
InChIKeyINJWMURYODITNO-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.40
Rot. Bonds4

About 1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol

1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol (PubChem CID 84782753) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
PubChem CID84782753
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
SMILESCNCC(O)c1cc(OC)c(F)cc1C
InChIInChI=1S/C11H16FNO2/c1-7-4-9(12)11(15-3)5-8(7)10(14)6-13-2/h4-5,10,13-14H,6H2,1-3H3
InChIKeyINJWMURYODITNO-UHFFFAOYSA-N
XLogP1.40
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluoro-4,5-dimethylphenyl)-2-(methylamino)ethanol
CID 84774389
1-(4-tert-butyl-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 117382208
1-(4-chloro-5-fluoro-2-methylphenyl)-2-(methylamino)ethanol
CID 84785782
2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-4-methylbenzoic acid
CID 117326538
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(4,5-dimethoxy-2-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 117386619
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117359840
1-(5-chloro-2-fluoro-4-methylphenyl)-2-(methylamino)ethanol
CID 84683301
1-(2-fluoro-4,5-dimethoxyphenyl)-3-(methylamino)propane-1,2-diol
CID 171859181
2-fluoro-4-[1-hydroxy-2-(methylamino)ethyl]-3-methoxy-6-methylphenol
CID 84792671

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol?
The IUPAC name of 1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol (CID 84782753) is 1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol.
What is the SMILES notation for 1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol?
The canonical SMILES for 1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol is CNCC(O)c1cc(OC)c(F)cc1C.
What is the InChIKey of 1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol?
The InChIKey is INJWMURYODITNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-7-4-9(12)11(15-3)5-8(7)10(14)6-13-2/h4-5,10,13-14H,6H2,1-3H3.
What are the key properties of 1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol?
1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol has a molecular weight of 213.25 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-5-methoxy-2-methylphenyl)-2-(methylamino)ethanol is sourced from PubChem (CID 84782753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).