2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol

C11H16FNO3 — CID 117330301

IUPAC2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(C(N)CO)c(F)cc1OC
InChIInChI=1S/C11H16FNO3/c1-15-6-7-3-8(10(13)5-14)9(12)4-11(7)16-2/h3-4,10,14H,5-6,13H2,1-2H3
InChIKeyUUCJQYDORMNOIW-UHFFFAOYSA-N
MW229.25 g/mol
LogP0.97
Rot. Bonds5

About 2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol

2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol (PubChem CID 117330301) has the molecular formula C11H16FNO3 and a molecular weight of 229.25 g/mol. Its IUPAC name is 2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol
PubChem CID117330301
Molecular FormulaC11H16FNO3
Molecular Weight229.25 g/mol
Exact Mass229.11
IUPAC Name2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol
SMILESCOCc1cc(C(N)CO)c(F)cc1OC
InChIInChI=1S/C11H16FNO3/c1-15-6-7-3-8(10(13)5-14)9(12)4-11(7)16-2/h3-4,10,14H,5-6,13H2,1-2H3
InChIKeyUUCJQYDORMNOIW-UHFFFAOYSA-N
XLogP0.97
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(5-bromo-2-fluoro-4-methoxyphenyl)ethanol
CID 84711161
4-[(1R)-1-amino-2-hydroxyethyl]-5-fluoro-2-methoxyphenol
CID 66514027
2-amino-3-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]propanoic acid
CID 117395987
2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117328325
N-[[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]methyl]hydroxylamine
CID 117306502
2-amino-2-[3-fluoro-2-methoxy-4-(methoxymethyl)phenyl]ethanol
CID 117330299
2-amino-2-(2-fluoro-4,5-dimethylphenyl)ethanol
CID 84769051
2-amino-2-[2-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 83885403
(2R)-2-amino-2-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]ethanol
CID 66515094
(3R)-3-amino-3-(2-fluoro-4,5-dimethoxyphenyl)propan-1-ol;hydrochloride
CID 171214010
2-amino-1-[2,4-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355258
2-amino-2-[2,3-dimethoxy-5-(methoxymethyl)phenyl]ethanol
CID 117355242

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol (CID 117330301) is 2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol is COCc1cc(C(N)CO)c(F)cc1OC.
What is the InChIKey of 2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol?
The InChIKey is UUCJQYDORMNOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3/c1-15-6-7-3-8(10(13)5-14)9(12)4-11(7)16-2/h3-4,10,14H,5-6,13H2,1-2H3.
What are the key properties of 2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol?
2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol has a molecular weight of 229.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117330301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).