2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol

C10H13BrFNO — CID 130134190

IUPAC2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol
SMILESCCC(C)(N)c1cc(F)cc(Br)c1O
InChIInChI=1S/C10H13BrFNO/c1-3-10(2,13)7-4-6(12)5-8(11)9(7)14/h4-5,14H,3,13H2,1-2H3
InChIKeyOPMSWFXPJKPQHP-UHFFFAOYSA-N
MW262.12 g/mol
LogP2.88
Rot. Bonds2

About 2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol

2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol (PubChem CID 130134190) has the molecular formula C10H13BrFNO and a molecular weight of 262.12 g/mol. Its IUPAC name is 2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol.

Molecular Properties

Compound Name2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol
PubChem CID130134190
Molecular FormulaC10H13BrFNO
Molecular Weight262.12 g/mol
Exact Mass261.02
IUPAC Name2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol
SMILESCCC(C)(N)c1cc(F)cc(Br)c1O
InChIInChI=1S/C10H13BrFNO/c1-3-10(2,13)7-4-6(12)5-8(11)9(7)14/h4-5,14H,3,13H2,1-2H3
InChIKeyOPMSWFXPJKPQHP-UHFFFAOYSA-N
XLogP2.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.12
LogP ≤ 52.88
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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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol?
The IUPAC name of 2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol (CID 130134190) is 2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol.
What is the SMILES notation for 2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol?
The canonical SMILES for 2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol is CCC(C)(N)c1cc(F)cc(Br)c1O.
What is the InChIKey of 2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol?
The InChIKey is OPMSWFXPJKPQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO/c1-3-10(2,13)7-4-6(12)5-8(11)9(7)14/h4-5,14H,3,13H2,1-2H3.
What are the key properties of 2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol?
2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol has a molecular weight of 262.12 g/mol, XLogP of 2.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutan-2-yl)-6-bromo-4-fluorophenol is sourced from PubChem (CID 130134190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).