2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol

C9H11BrFNO2 — CID 83902221

IUPAC2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)c(F)c1C(O)CN
InChIInChI=1S/C9H11BrFNO2/c1-14-7-3-2-5(10)9(11)8(7)6(13)4-12/h2-3,6,13H,4,12H2,1H3
InChIKeyWQVDGMJTRCCAJP-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.59
Rot. Bonds3

About 2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol

2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol (PubChem CID 83902221) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
PubChem CID83902221
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
SMILESCOc1ccc(Br)c(F)c1C(O)CN
InChIInChI=1S/C9H11BrFNO2/c1-14-7-3-2-5(10)9(11)8(7)6(13)4-12/h2-3,6,13H,4,12H2,1H3
InChIKeyWQVDGMJTRCCAJP-UHFFFAOYSA-N
XLogP1.59
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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
3-(3-amino-1-hydroxypropyl)-2-fluoro-4-methoxyphenol
CID 84783832
3-amino-1-(3-bromo-2-fluoro-6-methylphenyl)propan-1-ol
CID 84806995
2-amino-1-(2-bromo-6-fluoro-3,4-dimethoxyphenyl)ethanol
CID 117474365
2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol
CID 84679635
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645
2-amino-1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117330317
1-(3,6-dibromo-2-fluorophenyl)propan-1-ol
CID 118658154
2-amino-1-(5-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714352
1-bromo-2-fluoro-4-methoxy-3-propan-2-yloxybenzene
CID 125116564
3-amino-3-(6-bromo-2-fluoro-3-methoxyphenyl)propan-1-ol
CID 84714745

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol?
The IUPAC name of 2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol (CID 83902221) is 2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol.
What is the SMILES notation for 2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol?
The canonical SMILES for 2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol is COc1ccc(Br)c(F)c1C(O)CN.
What is the InChIKey of 2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol?
The InChIKey is WQVDGMJTRCCAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-14-7-3-2-5(10)9(11)8(7)6(13)4-12/h2-3,6,13H,4,12H2,1H3.
What are the key properties of 2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol?
2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol has a molecular weight of 264.09 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol is sourced from PubChem (CID 83902221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).