4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol

C12H18BrNO — CID 117111894

IUPAC4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol
SMILESCc1c(C)c(C(C)(C)N)c(C)c(Br)c1O
InChIInChI=1S/C12H18BrNO/c1-6-7(2)11(15)10(13)8(3)9(6)12(4,5)14/h15H,14H2,1-5H3
InChIKeyOJSLOHBOTATVNR-UHFFFAOYSA-N
MW272.19 g/mol
LogP3.27
Rot. Bonds1

About 4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol

4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol (PubChem CID 117111894) has the molecular formula C12H18BrNO and a molecular weight of 272.19 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol
PubChem CID117111894
Molecular FormulaC12H18BrNO
Molecular Weight272.19 g/mol
Exact Mass271.06
IUPAC Name4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol
SMILESCc1c(C)c(C(C)(C)N)c(C)c(Br)c1O
InChIInChI=1S/C12H18BrNO/c1-6-7(2)11(15)10(13)8(3)9(6)12(4,5)14/h15H,14H2,1-5H3
InChIKeyOJSLOHBOTATVNR-UHFFFAOYSA-N
XLogP3.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.19
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminopropan-2-yl)-4-chloro-3,5,6-trimethylphenol
CID 117111898
6-(2-aminopropan-2-yl)-2-bromo-3,4-dimethylphenol
CID 117398567
2-(2-aminopropan-2-yl)-3-bromo-6-fluoro-4-methylphenol
CID 84807026
4-(aminomethyl)-2-bromo-3,5,6-trimethylphenol
CID 117110781
4,5,6-tribromo-2-methylbenzene-1,3-diol
CID 21041923
4-(2-aminopropan-2-yl)-2,3,6-trimethylphenol
CID 117111890
2-bromo-3,5,6-trimethylbenzene-1,4-diol;dimethoxymethoxy(dimethoxy)methane
CID 23460112
5-(2-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802497
3-amino-1-(3-bromo-4-hydroxy-2,5,6-trimethylphenyl)propan-1-one
CID 115113444
2-(4-bromo-2,5-dimethylthiophen-3-yl)propan-2-ol
CID 84706896
2-(2-aminopropan-2-yl)-3-bromo-4-ethyl-6-methoxyphenol
CID 117465351
2-(3-bromo-4-hydroxy-2,5,6-trimethylphenyl)acetonitrile
CID 115110966

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol?
The IUPAC name of 4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol (CID 117111894) is 4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol.
What is the SMILES notation for 4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol?
The canonical SMILES for 4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol is Cc1c(C)c(C(C)(C)N)c(C)c(Br)c1O.
What is the InChIKey of 4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol?
The InChIKey is OJSLOHBOTATVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO/c1-6-7(2)11(15)10(13)8(3)9(6)12(4,5)14/h15H,14H2,1-5H3.
What are the key properties of 4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol?
4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol has a molecular weight of 272.19 g/mol, XLogP of 3.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)-2-bromo-3,5,6-trimethylphenol is sourced from PubChem (CID 117111894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).