2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol

C10H14FNO3 — CID 84783811

IUPAC2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol
SMILESCNCC(O)c1cc(O)c(F)c(OC)c1
InChIInChI=1S/C10H14FNO3/c1-12-5-8(14)6-3-7(13)10(11)9(4-6)15-2/h3-4,8,12-14H,5H2,1-2H3
InChIKeyGCCBLRKVFSSOLB-UHFFFAOYSA-N
MW215.22 g/mol
LogP0.79
Rot. Bonds4

About 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol

2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol (PubChem CID 84783811) has the molecular formula C10H14FNO3 and a molecular weight of 215.22 g/mol. Its IUPAC name is 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol.

Molecular Properties

Compound Name2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol
PubChem CID84783811
Molecular FormulaC10H14FNO3
Molecular Weight215.22 g/mol
Exact Mass215.10
IUPAC Name2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol
SMILESCNCC(O)c1cc(O)c(F)c(OC)c1
InChIInChI=1S/C10H14FNO3/c1-12-5-8(14)6-3-7(13)10(11)9(4-6)15-2/h3-4,8,12-14H,5H2,1-2H3
InChIKeyGCCBLRKVFSSOLB-UHFFFAOYSA-N
XLogP0.79
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-amino-3,5-dimethoxyphenyl)-2-(methylamino)ethanol
CID 117325570
4-[1-hydroxy-2-(methylamino)ethyl]-2-methoxy-6-methylphenol
CID 117301901
1-[3-(difluoromethyl)-4,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117406783
1-(4-bromo-3-methoxyphenyl)-2-(methylamino)ethanol
CID 83734466
5-[1-hydroxy-2-(methylamino)ethyl]-4-methoxy-2-methylphenol
CID 117301897
5-[1-hydroxy-2-(methylamino)ethyl]-2,3-dimethoxybenzaldehyde
CID 117350636
1-[4-(fluoromethyl)-2,5-dimethoxyphenyl]-2-(methylamino)ethanol
CID 117359840
1-[3-(difluoromethyl)-4-methoxyphenyl]-2-(methylamino)ethanol
CID 117333852
1-(2,5-dimethoxy-4-propan-2-ylphenyl)-2-(methylamino)ethanol
CID 112514039
1-(3-chloro-4,5-difluorophenyl)-2-(methylamino)ethanol
CID 117317266
1-(2,5-dimethoxy-4-methylsulfanylphenyl)-2-(methylamino)ethanol
CID 117397134
ethane;5-[1-hydroxy-2-(methylamino)ethyl]benzene-1,3-diol
CID 143733652

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol?
The IUPAC name of 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol (CID 84783811) is 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol.
What is the SMILES notation for 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol?
The canonical SMILES for 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol is CNCC(O)c1cc(O)c(F)c(OC)c1.
What is the InChIKey of 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol?
The InChIKey is GCCBLRKVFSSOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3/c1-12-5-8(14)6-3-7(13)10(11)9(4-6)15-2/h3-4,8,12-14H,5H2,1-2H3.
What are the key properties of 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol?
2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol has a molecular weight of 215.22 g/mol, XLogP of 0.79, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-hydroxy-2-(methylamino)ethyl]-3-methoxyphenol is sourced from PubChem (CID 84783811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).