2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol

C11H15Br2NO — CID 131473324

IUPAC2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol
SMILESCC(C)C[C@H](N)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C11H15Br2NO/c1-6(2)3-10(14)8-4-7(12)5-9(13)11(8)15/h4-6,10,15H,3,14H2,1-2H3/t10-/m0/s1
InChIKeyQUEHRHIMSQSENE-JTQLQIEISA-N
MW337.06 g/mol
LogP3.96
Rot. Bonds3

About 2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol

2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol (PubChem CID 131473324) has the molecular formula C11H15Br2NO and a molecular weight of 337.06 g/mol. Its IUPAC name is 2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol.

Molecular Properties

Compound Name2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol
PubChem CID131473324
Molecular FormulaC11H15Br2NO
Molecular Weight337.06 g/mol
Exact Mass334.95
IUPAC Name2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol
SMILESCC(C)C[C@H](N)c1cc(Br)cc(Br)c1O
InChIInChI=1S/C11H15Br2NO/c1-6(2)3-10(14)8-4-7(12)5-9(13)11(8)15/h4-6,10,15H,3,14H2,1-2H3/t10-/m0/s1
InChIKeyQUEHRHIMSQSENE-JTQLQIEISA-N
XLogP3.96
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.06
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-6-[(1S)-1,3-diaminopropyl]phenol
CID 131101236
3-[(1S)-1-amino-3-methylbutyl]-5-bromo-4-hydroxybenzoic acid;hydrochloride
CID 171254818
2-[(1R)-1-aminopentyl]-4,6-dibromophenol;hydrochloride
CID 171197666
4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol
CID 131413389
2-[(1R)-1-amino-3-methylbutyl]-6-bromo-4-nitrophenol;hydrochloride
CID 171213284
2-[(1R,2S)-1-amino-2-hydroxypropyl]-4,6-dibromophenol
CID 130990105
2-[(1R)-1-amino-4-hydroxybutyl]-4,6-dibromophenol;hydrochloride
CID 171197693
1-(5-bromo-2-chlorophenyl)-3-methylbutan-1-amine
CID 83988607
3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol
CID 131530626
(1R)-1-(5-bromo-2-fluoro-3-methylphenyl)-3-methylbutan-1-amine
CID 171204972
2-[(1S)-1-aminopent-4-enyl]-4,6-dibromophenol;hydrochloride
CID 171217191
2,4-dibromo-6-[(1S)-3-methyl-1-piperazin-1-ylbutyl]phenol
CID 171272167

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol?
The IUPAC name of 2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol (CID 131473324) is 2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol.
What is the SMILES notation for 2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol?
The canonical SMILES for 2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol is CC(C)C[C@H](N)c1cc(Br)cc(Br)c1O.
What is the InChIKey of 2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol?
The InChIKey is QUEHRHIMSQSENE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15Br2NO/c1-6(2)3-10(14)8-4-7(12)5-9(13)11(8)15/h4-6,10,15H,3,14H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol?
2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol has a molecular weight of 337.06 g/mol, XLogP of 3.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol is sourced from PubChem (CID 131473324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).