2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol

C10H13BrFNO3 — CID 117474365

IUPAC2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol
SMILESCOc1cc(F)c(C(O)CN)c(Br)c1OC
InChIInChI=1S/C10H13BrFNO3/c1-15-7-3-5(12)8(6(14)4-13)9(11)10(7)16-2/h3,6,14H,4,13H2,1-2H3
InChIKeyRPTBAHCVYJDHDD-UHFFFAOYSA-N
MW294.12 g/mol
LogP1.60
Rot. Bonds4

About 2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol

2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol (PubChem CID 117474365) has the molecular formula C10H13BrFNO3 and a molecular weight of 294.12 g/mol. Its IUPAC name is 2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol
PubChem CID117474365
Molecular FormulaC10H13BrFNO3
Molecular Weight294.12 g/mol
Exact Mass293.01
IUPAC Name2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol
SMILESCOc1cc(F)c(C(O)CN)c(Br)c1OC
InChIInChI=1S/C10H13BrFNO3/c1-15-7-3-5(12)8(6(14)4-13)9(11)10(7)16-2/h3,6,14H,4,13H2,1-2H3
InChIKeyRPTBAHCVYJDHDD-UHFFFAOYSA-N
XLogP1.60
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.12
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-bromo-2-fluoro-5,6-dimethoxyphenyl)ethanol
CID 117474367
2-amino-1-(6-bromo-2-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474366
2-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)propan-1-amine
CID 117471666
1-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)ethanol
CID 84714942
3-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)butanal
CID 117490422
2-amino-1-(3,4-dimethoxy-2,6-dimethylphenyl)ethanol
CID 84689924
3-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491312
2-(2-amino-1-hydroxyethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117343844
2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 83902221
3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
CID 117372422
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843
2-amino-1-(3-bromo-4-methoxy-2,5,6-trimethylphenyl)ethanol
CID 117115320

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol (CID 117474365) is 2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol is COc1cc(F)c(C(O)CN)c(Br)c1OC.
What is the InChIKey of 2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol?
The InChIKey is RPTBAHCVYJDHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO3/c1-15-7-3-5(12)8(6(14)4-13)9(11)10(7)16-2/h3,6,14H,4,13H2,1-2H3.
What are the key properties of 2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol?
2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol has a molecular weight of 294.12 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol is sourced from PubChem (CID 117474365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).