1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol

C11H15F2NO2 — CID 117333852

IUPAC1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(C(F)F)c1
InChIInChI=1S/C11H15F2NO2/c1-14-6-9(15)7-3-4-10(16-2)8(5-7)11(12)13/h3-5,9,11,14-15H,6H2,1-2H3
InChIKeyUILJHJNBENPFBR-UHFFFAOYSA-N
MW231.24 g/mol
LogP1.89
Rot. Bonds5

About 1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol

1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol (PubChem CID 117333852) has the molecular formula C11H15F2NO2 and a molecular weight of 231.24 g/mol. Its IUPAC name is 1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol.

Molecular Properties

Compound Name1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol
PubChem CID117333852
Molecular FormulaC11H15F2NO2
Molecular Weight231.24 g/mol
Exact Mass231.11
IUPAC Name1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol
SMILESCNCC(O)c1ccc(OC)c(C(F)F)c1
InChIInChI=1S/C11H15F2NO2/c1-14-6-9(15)7-3-4-10(16-2)8(5-7)11(12)13/h3-5,9,11,14-15H,6H2,1-2H3
InChIKeyUILJHJNBENPFBR-UHFFFAOYSA-N
XLogP1.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.24
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117406783
1-(4-bromo-3-methoxyphenyl)-2-(methylamino)ethanol
CID 83734466
1-[4-methoxy-3-(4-methylcyclohexyl)phenyl]-2-(methylamino)ethanol
CID 117444930
1-(2-methoxyphenyl)-2-(methylamino)ethanol
CID 14888491
1-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]-2-(methylamino)ethanol
CID 117450269
1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol
CID 117325570
1-[3-(difluoromethyl)-5-fluoro-2-methoxyphenyl]-2-(methylamino)ethanol
CID 117375331
2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol
CID 84783811
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117359840
2-fluoro-2-(2-methoxy-5-methylphenyl)-N-methylethanamine
CID 105426365
1-(3-methoxy-2-methylphenyl)-2-(methylamino)ethanol
CID 83698787
2-bromo-1-(4-methoxy-3-propan-2-ylphenyl)ethanol
CID 116863189

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol?
The IUPAC name of 1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol (CID 117333852) is 1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol.
What is the SMILES notation for 1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol?
The canonical SMILES for 1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol is CNCC(O)c1ccc(OC)c(C(F)F)c1.
What is the InChIKey of 1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol?
The InChIKey is UILJHJNBENPFBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO2/c1-14-6-9(15)7-3-4-10(16-2)8(5-7)11(12)13/h3-5,9,11,14-15H,6H2,1-2H3.
What are the key properties of 1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol?
1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol has a molecular weight of 231.24 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol is sourced from PubChem (CID 117333852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).