3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol

C9H11BrFNO2 — CID 117414325

IUPAC3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)c(CCN)c(Br)c1O
InChIInChI=1S/C9H11BrFNO2/c1-14-7-4-6(11)5(2-3-12)8(10)9(7)13/h4,13H,2-3,12H2,1H3
InChIKeyKPSCPKIXYIZZTB-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.80
Rot. Bonds3

About 3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol

3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol (PubChem CID 117414325) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol.

Molecular Properties

Compound Name3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
PubChem CID117414325
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
SMILESCOc1cc(F)c(CCN)c(Br)c1O
InChIInChI=1S/C9H11BrFNO2/c1-14-7-4-6(11)5(2-3-12)8(10)9(7)13/h4,13H,2-3,12H2,1H3
InChIKeyKPSCPKIXYIZZTB-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-4-fluoro-3-(3-hydroxypropyl)-6-methoxyphenol
CID 117447283
2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
CID 117447325
2-(2-aminoethyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117313606
4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117414326
2-bromo-4-fluoro-6-methoxybenzene-1,3-diol
CID 84699811
2-(3-bromo-2,6-difluoro-4-methoxyphenyl)ethanol
CID 117420943
2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol
CID 117274749
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
CID 117288585
4-bromo-2-fluoro-3-(hydroxymethyl)-6-methoxyphenol
CID 117380249
3-(3-bromo-2,6-difluoro-4-methoxyphenyl)propanal
CID 117447245
4-(2-bromo-3-fluoro-5,6-dimethoxyphenyl)butan-1-amine
CID 117491322
4-[(1S)-1-amino-3-fluoropropyl]-2,3-dibromo-6-methoxyphenol
CID 171235131

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol?
The IUPAC name of 3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol (CID 117414325) is 3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol.
What is the SMILES notation for 3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol?
The canonical SMILES for 3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol is COc1cc(F)c(CCN)c(Br)c1O.
What is the InChIKey of 3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol?
The InChIKey is KPSCPKIXYIZZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-14-7-4-6(11)5(2-3-12)8(10)9(7)13/h4,13H,2-3,12H2,1H3.
What are the key properties of 3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol?
3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol has a molecular weight of 264.09 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol is sourced from PubChem (CID 117414325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).