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

C10H13BrFNO2 — CID 117445537

IUPAC4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(F)c(CC(C)N)c1Br
InChIInChI=1S/C10H13BrFNO2/c1-5(13)3-6-7(12)4-8(14)10(15-2)9(6)11/h4-5,14H,3,13H2,1-2H3
InChIKeyFZIPILXIPMDMAW-UHFFFAOYSA-N
MW278.12 g/mol
LogP2.19
Rot. Bonds3

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

4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol (PubChem CID 117445537) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol
PubChem CID117445537
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol
SMILESCOc1c(O)cc(F)c(CC(C)N)c1Br
InChIInChI=1S/C10H13BrFNO2/c1-5(13)3-6-7(12)4-8(14)10(15-2)9(6)11/h4-5,14H,3,13H2,1-2H3
InChIKeyFZIPILXIPMDMAW-UHFFFAOYSA-N
XLogP2.19
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-aminoethyl)-3-bromo-5-fluoro-2-methoxyphenol
CID 117414326
3-(2-aminopropyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117339610
2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)acetonitrile
CID 117403738
3-bromo-5-fluoro-4-(1-hydroxyethyl)-2-methoxyphenol
CID 117416440
4-[(E)-3-aminoprop-1-enyl]-3-bromo-5-fluoro-2-methoxyphenol
CID 117441571
1-(2-bromo-3,6-difluorophenyl)propan-2-amine
CID 127010991
1-(2-bromo-3-fluoro-6-methoxyphenyl)propan-2-amine
CID 83902067
methyl 2-(2-bromo-6-fluoro-4-hydroxy-3-methoxyphenyl)-2-hydroxyacetate
CID 117493779
1-(5-chloro-2,3-difluoro-6-methoxyphenyl)propan-2-amine
CID 83896789
2-bromo-4-fluoro-3-(2-hydroxypropyl)-6-methoxyphenol
CID 117447325
1-(5-bromo-2,3-dimethoxy-4,6-dimethylphenyl)propan-2-amine
CID 117486813
1-(3-bromo-5-fluoro-2-methoxyphenyl)propan-2-amine
CID 83902061

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol?
The IUPAC name of 4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol (CID 117445537) is 4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol.
What is the SMILES notation for 4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol?
The canonical SMILES for 4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol is COc1c(O)cc(F)c(CC(C)N)c1Br.
What is the InChIKey of 4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol?
The InChIKey is FZIPILXIPMDMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-5(13)3-6-7(12)4-8(14)10(15-2)9(6)11/h4-5,14H,3,13H2,1-2H3.
What are the key properties of 4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol?
4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol has a molecular weight of 278.12 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-3-bromo-5-fluoro-2-methoxyphenol is sourced from PubChem (CID 117445537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).