2-amino-4-bromo-6-tert-butylphenol

C10H14BrNO — CID 75481508

IUPAC2-amino-4-bromo-6-tert-butylphenol
SMILESCC(C)(C)c1cc(Br)cc(N)c1O
InChIInChI=1S/C10H14BrNO/c1-10(2,3)7-4-6(11)5-8(12)9(7)13/h4-5,13H,12H2,1-3H3
InChIKeyFWTKQUPMASQSCY-UHFFFAOYSA-N
MW244.13 g/mol
LogP3.03
Rot. Bonds

About 2-amino-4-bromo-6-tert-butylphenol

2-amino-4-bromo-6-tert-butylphenol (PubChem CID 75481508) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 2-amino-4-bromo-6-tert-butylphenol.

Molecular Properties

Compound Name2-amino-4-bromo-6-tert-butylphenol
PubChem CID75481508
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name2-amino-4-bromo-6-tert-butylphenol
SMILESCC(C)(C)c1cc(Br)cc(N)c1O
InChIInChI=1S/C10H14BrNO/c1-10(2,3)7-4-6(11)5-8(12)9(7)13/h4-5,13H,12H2,1-3H3
InChIKeyFWTKQUPMASQSCY-UHFFFAOYSA-N
XLogP3.03
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-bromo-6-tert-butylphenol?
The IUPAC name of 2-amino-4-bromo-6-tert-butylphenol (CID 75481508) is 2-amino-4-bromo-6-tert-butylphenol.
What is the SMILES notation for 2-amino-4-bromo-6-tert-butylphenol?
The canonical SMILES for 2-amino-4-bromo-6-tert-butylphenol is CC(C)(C)c1cc(Br)cc(N)c1O.
What is the InChIKey of 2-amino-4-bromo-6-tert-butylphenol?
The InChIKey is FWTKQUPMASQSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-10(2,3)7-4-6(11)5-8(12)9(7)13/h4-5,13H,12H2,1-3H3.
What are the key properties of 2-amino-4-bromo-6-tert-butylphenol?
2-amino-4-bromo-6-tert-butylphenol has a molecular weight of 244.13 g/mol, XLogP of 3.03, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-bromo-6-tert-butylphenol is sourced from PubChem (CID 75481508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).