2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol

C13H20BrNO — CID 117461466

IUPAC2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(C(C)CCN)cc1Br
InChIInChI=1S/C13H20BrNO/c1-8(2)10-7-13(16)11(6-12(10)14)9(3)4-5-15/h6-9,16H,4-5,15H2,1-3H3
InChIKeyOIDUSJFJQGDZPQ-UHFFFAOYSA-N
MW286.21 g/mol
LogP3.73
Rot. Bonds4

About 2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol

2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol (PubChem CID 117461466) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol
PubChem CID117461466
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol
SMILESCC(C)c1cc(O)c(C(C)CCN)cc1Br
InChIInChI=1S/C13H20BrNO/c1-8(2)10-7-13(16)11(6-12(10)14)9(3)4-5-15/h6-9,16H,4-5,15H2,1-3H3
InChIKeyOIDUSJFJQGDZPQ-UHFFFAOYSA-N
XLogP3.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.21
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-aminopropan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117433028
4-bromo-2-(1-hydroxypropan-2-yl)-5-propan-2-ylphenol
CID 117435150
2-(4-aminobutan-2-yl)-4-bromo-5-methoxyphenol
CID 117437677
2-(4-aminobutan-2-yl)-5-bromo-4-chlorophenol
CID 84811450
4-(4-aminobutan-2-yl)-3-bromophenol
CID 82622374
2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol
CID 117461468
2-(3-aminopropyl)-4-bromo-5-propan-2-ylphenol
CID 117433020
4-bromo-2-[1-hydroxy-2-(methylamino)ethyl]-5-propan-2-ylphenol
CID 117465267
4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84811290
4-(1-aminopropan-2-yl)-2-bromo-5-fluorophenol
CID 84803490
2-(4-aminobutan-2-yl)-4-(2-methylbutan-2-yl)phenol
CID 117343729
2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol
CID 117483916

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol?
The IUPAC name of 2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol (CID 117461466) is 2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol.
What is the SMILES notation for 2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol?
The canonical SMILES for 2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol is CC(C)c1cc(O)c(C(C)CCN)cc1Br.
What is the InChIKey of 2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol?
The InChIKey is OIDUSJFJQGDZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-8(2)10-7-13(16)11(6-12(10)14)9(3)4-5-15/h6-9,16H,4-5,15H2,1-3H3.
What are the key properties of 2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol?
2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol has a molecular weight of 286.21 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol is sourced from PubChem (CID 117461466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).