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

C11H15Br2NO — CID 131413389

IUPAC4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol
SMILESCC(C)C[C@H](N)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C11H15Br2NO/c1-6(2)3-10(14)7-4-8(12)11(15)9(13)5-7/h4-6,10,15H,3,14H2,1-2H3/t10-/m0/s1
InChIKeyUOHFPIHZUBGITO-JTQLQIEISA-N
MW337.06 g/mol
LogP3.96
Rot. Bonds3

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

4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol (PubChem CID 131413389) has the molecular formula C11H15Br2NO and a molecular weight of 337.06 g/mol. Its IUPAC name is 4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol.

Molecular Properties

Compound Name4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol
PubChem CID131413389
Molecular FormulaC11H15Br2NO
Molecular Weight337.06 g/mol
Exact Mass334.95
IUPAC Name4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol
SMILESCC(C)C[C@H](N)c1cc(Br)c(O)c(Br)c1
InChIInChI=1S/C11H15Br2NO/c1-6(2)3-10(14)7-4-8(12)11(15)9(13)5-7/h4-6,10,15H,3,14H2,1-2H3/t10-/m0/s1
InChIKeyUOHFPIHZUBGITO-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

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Related Compounds

4-(1-amino-3-methylbutyl)-2-bromophenol
CID 130825484
4-[(1S)-1-amino-3-methylbutyl]-2,6-dimethylphenol;hydrochloride
CID 171224632
(1S)-1-(3,4-dibromophenyl)-3-methylbutan-1-amine
CID 130641493
3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol
CID 131530626
2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol
CID 131473324
4-[(1S)-1-aminopentyl]-2,6-dibromophenol;hydrochloride
CID 171219518
4-[(1R)-1-aminohexyl]-2,6-dibromophenol;hydrochloride
CID 171199992
2,6-dibromo-4-[(1S)-1,5-diaminopentyl]phenol
CID 171219510
2,6-dibromo-4-[(1S)-1,4-diaminobutyl]phenol;hydrochloride
CID 171219509
4-[(1R,2S)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171261157
4-[(1S,2R)-1-amino-2-hydroxypropyl]-2,6-dibromophenol;hydrochloride
CID 171266843
ethyl (3R)-3-amino-3-(3,5-dibromo-4-hydroxyphenyl)propanoate
CID 171200015

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol?
The IUPAC name of 4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol (CID 131413389) is 4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol.
What is the SMILES notation for 4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol?
The canonical SMILES for 4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol is CC(C)C[C@H](N)c1cc(Br)c(O)c(Br)c1.
What is the InChIKey of 4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol?
The InChIKey is UOHFPIHZUBGITO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15Br2NO/c1-6(2)3-10(14)7-4-8(12)11(15)9(13)5-7/h4-6,10,15H,3,14H2,1-2H3/t10-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol?
4-[(1S)-1-amino-3-methylbutyl]-2,6-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 4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol is sourced from PubChem (CID 131413389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).