5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol

C10H14BrNO — CID 84802497

IUPAC5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol
SMILESCc1cc(C(C)(C)N)cc(O)c1Br
InChIInChI=1S/C10H14BrNO/c1-6-4-7(10(2,3)12)5-8(13)9(6)11/h4-5,13H,12H2,1-3H3
InChIKeyGEMTVTDFRUQZSR-UHFFFAOYSA-N
MW244.13 g/mol
LogP2.66
Rot. Bonds1

About 5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol

5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol (PubChem CID 84802497) has the molecular formula C10H14BrNO and a molecular weight of 244.13 g/mol. Its IUPAC name is 5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol.

Molecular Properties

Compound Name5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol
PubChem CID84802497
Molecular FormulaC10H14BrNO
Molecular Weight244.13 g/mol
Exact Mass243.03
IUPAC Name5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol
SMILESCc1cc(C(C)(C)N)cc(O)c1Br
InChIInChI=1S/C10H14BrNO/c1-6-4-7(10(2,3)12)5-8(13)9(6)11/h4-5,13H,12H2,1-3H3
InChIKeyGEMTVTDFRUQZSR-UHFFFAOYSA-N
XLogP2.66
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.13
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol?
The IUPAC name of 5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol (CID 84802497) is 5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol.
What is the SMILES notation for 5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol?
The canonical SMILES for 5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol is Cc1cc(C(C)(C)N)cc(O)c1Br.
What is the InChIKey of 5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol?
The InChIKey is GEMTVTDFRUQZSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO/c1-6-4-7(10(2,3)12)5-8(13)9(6)11/h4-5,13H,12H2,1-3H3.
What are the key properties of 5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol?
5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol has a molecular weight of 244.13 g/mol, XLogP of 2.66, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol is sourced from PubChem (CID 84802497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).