4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol

C9H11BrFNO2 — CID 117414326

IUPAC4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(F)c(CCN)c1Br
InChIInChI=1S/C9H11BrFNO2/c1-14-9-7(13)4-6(11)5(2-3-12)8(9)10/h4,13H,2-3,12H2,1H3
InChIKeyQGYHUHHOJAKAAO-UHFFFAOYSA-N
MW264.09 g/mol
LogP1.80
Rot. Bonds3

About 4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol

4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol (PubChem CID 117414326) has the molecular formula C9H11BrFNO2 and a molecular weight of 264.09 g/mol. Its IUPAC name is 4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol
PubChem CID117414326
Molecular FormulaC9H11BrFNO2
Molecular Weight264.09 g/mol
Exact Mass263.00
IUPAC Name4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(F)c(CCN)c1Br
InChIInChI=1S/C9H11BrFNO2/c1-14-9-7(13)4-6(11)5(2-3-12)8(9)10/h4,13H,2-3,12H2,1H3
InChIKeyQGYHUHHOJAKAAO-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

4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117445537
2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)acetonitrile
CID 117403738
3-(2-aminoethyl)-2-bromo-4-fluoro-6-methoxyphenol
CID 117414325
4-[(E)-3-aminoprop-1-enyl]-3-bromo-5-fluoro-2-methoxyphenol
CID 117441571
2,5-bis(2-aminoethyl)-3,6-dibromo-4-methoxyphenol
CID 117274749
2-(3-aminopropyl)-3-bromo-4,5-dimethoxyphenol
CID 117468532
2-(3,5-difluoro-2,6-dimethoxyphenyl)ethanamine
CID 117309017
4-(aminomethyl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117378201
3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol
CID 117416440
4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol
CID 84811292
methyl 2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117493779
3-(2-aminoethyl)-2-methoxy-4-methylphenol
CID 117278761

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol?
The IUPAC name of 4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol (CID 117414326) is 4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol.
What is the SMILES notation for 4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol?
The canonical SMILES for 4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol is COc1c(O)cc(F)c(CCN)c1Br.
What is the InChIKey of 4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol?
The InChIKey is QGYHUHHOJAKAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO2/c1-14-9-7(13)4-6(11)5(2-3-12)8(9)10/h4,13H,2-3,12H2,1H3.
What are the key properties of 4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol?
4-(2-aminoethyl)-3-bromo-5-fluoro-2-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 4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol is sourced from PubChem (CID 117414326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).