3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol

C10H13BrFNO2 — CID 117445523

IUPAC3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol
SMILESCOc1c(O)c(F)cc(Br)c1C(C)(C)N
InChIInChI=1S/C10H13BrFNO2/c1-10(2,13)7-5(11)4-6(12)8(14)9(7)15-3/h4,14H,13H2,1-3H3
InChIKeyLLLOLXAITJOQDC-UHFFFAOYSA-N
MW278.12 g/mol
LogP2.50
Rot. Bonds2

About 3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol

3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol (PubChem CID 117445523) has the molecular formula C10H13BrFNO2 and a molecular weight of 278.12 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol
PubChem CID117445523
Molecular FormulaC10H13BrFNO2
Molecular Weight278.12 g/mol
Exact Mass277.01
IUPAC Name3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol
SMILESCOc1c(O)c(F)cc(Br)c1C(C)(C)N
InChIInChI=1S/C10H13BrFNO2/c1-10(2,13)7-5(11)4-6(12)8(14)9(7)15-3/h4,14H,13H2,1-3H3
InChIKeyLLLOLXAITJOQDC-UHFFFAOYSA-N
XLogP2.50
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.12
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2-aminopropan-2-yl)-5-bromo-3-fluoro-2-methoxyphenol
CID 117445518
3-(2-aminooxyethyl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117449311
2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol
CID 84807026
2-(2,3,5-trifluoro-6-methoxyphenyl)propan-2-amine
CID 117311862
3-[(E)-3-aminoprop-1-enyl]-4-bromo-6-fluoro-2-methoxyphenol
CID 117441578
2-(2-aminopropan-2-yl)-3,6-difluorophenol
CID 117280747
6-(2-aminopropan-2-yl)-3-fluoro-2-methoxyphenol
CID 117288541
2-(5-bromo-3,4-difluoro-2-methoxyphenyl)propan-2-amine
CID 117449379
3-[1-(aminomethyl)cyclobutyl]-4-bromo-6-fluoro-2-methoxyphenol
CID 117489148
2-(3,5-difluoro-4-methoxyphenyl)propan-2-amine
CID 84776186
2-(5-bromo-2,3-difluoro-6-methoxyphenyl)-2-methylpropan-1-ol
CID 117475631
4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117420953

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol?
The IUPAC name of 3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol (CID 117445523) is 3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol.
What is the SMILES notation for 3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol?
The canonical SMILES for 3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol is COc1c(O)c(F)cc(Br)c1C(C)(C)N.
What is the InChIKey of 3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol?
The InChIKey is LLLOLXAITJOQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2/c1-10(2,13)7-5(11)4-6(12)8(14)9(7)15-3/h4,14H,13H2,1-3H3.
What are the key properties of 3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol?
3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol has a molecular weight of 278.12 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol is sourced from PubChem (CID 117445523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).