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

C10H13BrFNO — CID 84807026

IUPAC2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c(C(C)(C)N)c1Br
InChIInChI=1S/C10H13BrFNO/c1-5-4-6(12)9(14)7(8(5)11)10(2,3)13/h4,14H,13H2,1-3H3
InChIKeyAEZMZNKLDHALMB-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.80
Rot. Bonds1

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

2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol (PubChem CID 84807026) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol.

Molecular Properties

Compound Name2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol
PubChem CID84807026
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol
SMILESCc1cc(F)c(O)c(C(C)(C)N)c1Br
InChIInChI=1S/C10H13BrFNO/c1-5-4-6(12)9(14)7(8(5)11)10(2,3)13/h4,14H,13H2,1-3H3
InChIKeyAEZMZNKLDHALMB-UHFFFAOYSA-N
XLogP2.80
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-(2-aminopropan-2-yl)-3-chloro-6-fluoro-4-methylphenol
CID 84785858
2-amino-3-bromo-6-fluoro-4-methylphenol
CID 84685280
2-(2-aminopropan-2-yl)-3,6-difluorophenol
CID 117280747
3-(2-aminopropan-2-yl)-4-bromo-6-fluoro-2-methoxyphenol
CID 117445523
2-(2-aminopropan-2-yl)-4-bromo-6-fluorophenol
CID 117372735
5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802497
4-(2-amino-2-methylpropyl)-3-bromo-5-fluorobenzene-1,2-diol
CID 117445509
4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol
CID 117111894
6-(2-aminopropan-2-yl)-2-bromo-3,4-dimethylphenol
CID 117398567
4-bromo-3,6-difluoro-2-(2-hydroxypropan-2-yl)phenol
CID 117420953
2-(2-fluoro-4,5-dimethylphenyl)propan-2-amine
CID 84768561
4-(2-aminopropan-2-yl)-2,6-difluorobenzene-1,3-diol
CID 84777103

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol?
The IUPAC name of 2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol (CID 84807026) is 2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol.
What is the SMILES notation for 2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol?
The canonical SMILES for 2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol is Cc1cc(F)c(O)c(C(C)(C)N)c1Br.
What is the InChIKey of 2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol?
The InChIKey is AEZMZNKLDHALMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-5-4-6(12)9(14)7(8(5)11)10(2,3)13/h4,14H,13H2,1-3H3.
What are the key properties of 2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol?
2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol has a molecular weight of 262.12 g/mol, XLogP of 2.80, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol is sourced from PubChem (CID 84807026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).