2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol

C13H20BrNO — CID 117461468

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

About 2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol

2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol (PubChem CID 117461468) has the molecular formula C13H20BrNO and a molecular weight of 286.21 g/mol. Its IUPAC name is 2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol.

Molecular Properties

Compound Name2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol
PubChem CID117461468
Molecular FormulaC13H20BrNO
Molecular Weight286.21 g/mol
Exact Mass285.07
IUPAC Name2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol
SMILESCC(C)c1cc(Br)c(O)c(C(C)CCN)c1
InChIInChI=1S/C13H20BrNO/c1-8(2)10-6-11(9(3)4-5-15)13(16)12(14)7-10/h6-9,16H,4-5,15H2,1-3H3
InChIKeyLBZZLPLOTXMZOW-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-(4-aminobutan-2-yl)-4-bromo-5-propan-2-ylphenol
CID 117461466
4-(4-aminobutan-2-yl)-2-bromo-6-fluorobenzene-1,3-diol
CID 84811290
3-(2,3-difluoro-5-propan-2-ylphenyl)butan-1-amine
CID 117327295
4-(4-aminobutan-2-yl)-3-bromophenol
CID 82622374
2,4-dibromo-6-[(1S)-1,3-diaminopropyl]phenol
CID 131101236
2,6-dibromo-4-[(1S)-1,4-diaminobutyl]phenol;hydrochloride
CID 171219509
2-bromo-6-[(1R)-1,3-diaminopropyl]-4-fluorophenol;hydrochloride
CID 171257029
2-(4-aminobutan-2-yl)-4-bromo-6-tert-butylphenol
CID 117483916
3-(2-methyl-5-propan-2-ylphenyl)butan-1-amine
CID 82492113
2,6-dibromo-4-[(1S)-1,5-diaminopentyl]phenol;hydrochloride
CID 171219511
2-(4-aminobutan-2-yl)-5-bromo-4-chlorophenol
CID 84811450
6-(4-aminobutan-2-yl)-2-bromo-3,4-dimethoxyphenol
CID 117489376

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol?
The IUPAC name of 2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol (CID 117461468) is 2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol.
What is the SMILES notation for 2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol?
The canonical SMILES for 2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol is CC(C)c1cc(Br)c(O)c(C(C)CCN)c1.
What is the InChIKey of 2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol?
The InChIKey is LBZZLPLOTXMZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrNO/c1-8(2)10-6-11(9(3)4-5-15)13(16)12(14)7-10/h6-9,16H,4-5,15H2,1-3H3.
What are the key properties of 2-(4-aminobutan-2-yl)-6-bromo-4-propan-2-ylphenol?
2-(4-aminobutan-2-yl)-6-bromo-4-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)-6-bromo-4-propan-2-ylphenol is sourced from PubChem (CID 117461468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).