3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol

C11H14Br3NO — CID 131530626

IUPAC3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol
SMILESCC(C)C[C@@H](N)c1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C11H14Br3NO/c1-5(2)3-8(15)9-6(12)4-7(13)11(16)10(9)14/h4-5,8,16H,3,15H2,1-2H3/t8-/m1/s1
InChIKeyPZMTXPYKHYVIRG-MRVPVSSYSA-N
MW415.95 g/mol
LogP4.73
Rot. Bonds3

About 3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol

3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol (PubChem CID 131530626) has the molecular formula C11H14Br3NO and a molecular weight of 415.95 g/mol. Its IUPAC name is 3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol.

Molecular Properties

Compound Name3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol
PubChem CID131530626
Molecular FormulaC11H14Br3NO
Molecular Weight415.95 g/mol
Exact Mass412.86
IUPAC Name3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol
SMILESCC(C)C[C@@H](N)c1c(Br)cc(Br)c(O)c1Br
InChIInChI=1S/C11H14Br3NO/c1-5(2)3-8(15)9-6(12)4-7(13)11(16)10(9)14/h4-5,8,16H,3,15H2,1-2H3/t8-/m1/s1
InChIKeyPZMTXPYKHYVIRG-MRVPVSSYSA-N
XLogP4.73
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.95
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-1-amino-3,3-difluoropropyl]-2,4,6-tribromophenol
CID 131325612
3-[(1S)-1-aminobutyl]-2,4,6-tribromophenol
CID 131342741
2,4,6-tribromo-3-[(1R)-1,2-diaminoethyl]phenol;hydrochloride
CID 171236025
4-[(1S)-1-amino-3-methylbutyl]-2,6-dibromophenol
CID 131413389
2,4,6-tribromo-3-[(1S)-1,4-diaminobutyl]phenol
CID 171236028
3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol
CID 131435618
2,4,6-tribromo-3-[(1R)-1,5-diaminopentyl]phenol
CID 171216396
2-[(1S)-1-amino-3-methylbutyl]-4,6-dibromophenol
CID 131473324
methyl (3S)-3-amino-3-(2,4,6-tribromo-3-hydroxyphenyl)propanoate;hydrochloride
CID 171245090
2-[(1S)-1-amino-3-methylbutyl]-3-bromo-6-methylphenol;hydrochloride
CID 171252974
(2R)-2-amino-2-(2,4,6-tribromo-3-hydroxyphenyl)acetonitrile
CID 130943688
3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride
CID 171245096

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol?
The IUPAC name of 3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol (CID 131530626) is 3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol.
What is the SMILES notation for 3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol?
The canonical SMILES for 3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol is CC(C)C[C@@H](N)c1c(Br)cc(Br)c(O)c1Br.
What is the InChIKey of 3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol?
The InChIKey is PZMTXPYKHYVIRG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H14Br3NO/c1-5(2)3-8(15)9-6(12)4-7(13)11(16)10(9)14/h4-5,8,16H,3,15H2,1-2H3/t8-/m1/s1.
What are the key properties of 3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol?
3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol has a molecular weight of 415.95 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-amino-3-methylbutyl]-2,4,6-tribromophenol is sourced from PubChem (CID 131530626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).