6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol

C11H15BrFNO — CID 131611189

IUPAC6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol
SMILESCC(C)(C)[C@@H](N)c1ccc(F)c(Br)c1O
InChIInChI=1S/C11H15BrFNO/c1-11(2,3)10(14)6-4-5-7(13)8(12)9(6)15/h4-5,10,15H,14H2,1-3H3/t10-/m0/s1
InChIKeyPHEJLRYHLIZXAE-JTQLQIEISA-N
MW276.15 g/mol
LogP3.34
Rot. Bonds1

About 6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol

6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol (PubChem CID 131611189) has the molecular formula C11H15BrFNO and a molecular weight of 276.15 g/mol. Its IUPAC name is 6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol.

Molecular Properties

Compound Name6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol
PubChem CID131611189
Molecular FormulaC11H15BrFNO
Molecular Weight276.15 g/mol
Exact Mass275.03
IUPAC Name6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol
SMILESCC(C)(C)[C@@H](N)c1ccc(F)c(Br)c1O
InChIInChI=1S/C11H15BrFNO/c1-11(2,3)10(14)6-4-5-7(13)8(12)9(6)15/h4-5,10,15H,14H2,1-3H3/t10-/m0/s1
InChIKeyPHEJLRYHLIZXAE-JTQLQIEISA-N
XLogP3.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.15
LogP ≤ 53.34
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

6-[(1S)-1-aminoethyl]-2-bromo-3-fluorophenol
CID 130614162
1-(2-bromo-3,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 103852505
6-[(1R)-1-aminoprop-2-enyl]-2-bromo-3-fluorophenol
CID 130894325
2-[(1R)-1-amino-2,2-dimethylpropyl]-4-bromo-6-fluorophenol;hydrochloride
CID 171256747
6-[(1R)-1-aminobut-3-enyl]-2-bromo-3-fluorophenol
CID 131211532
6-[(1S)-1-aminobut-3-enyl]-2-bromo-3-fluorophenol
CID 130806138
methyl (3R)-3-amino-3-(3-bromo-4-fluoro-2-hydroxyphenyl)propanoate
CID 171256964
6-[(R)-amino(cyclobutyl)methyl]-2-bromo-3-fluorophenol;hydrochloride
CID 171256976
(1R)-1-(5-chloro-2-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130700654
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol
CID 130042032
2-amino-6-[(1S)-1-amino-3-hydroxy-2,2-dimethylpropyl]-3-fluorophenol
CID 171254060

Frequently Asked Questions

What is the IUPAC name of 6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol?
The IUPAC name of 6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol (CID 131611189) is 6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol.
What is the SMILES notation for 6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol?
The canonical SMILES for 6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol is CC(C)(C)[C@@H](N)c1ccc(F)c(Br)c1O.
What is the InChIKey of 6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol?
The InChIKey is PHEJLRYHLIZXAE-JTQLQIEISA-N. The full InChI is InChI=1S/C11H15BrFNO/c1-11(2,3)10(14)6-4-5-7(13)8(12)9(6)15/h4-5,10,15H,14H2,1-3H3/t10-/m0/s1.
What are the key properties of 6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol?
6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol has a molecular weight of 276.15 g/mol, XLogP of 3.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1R)-1-amino-2,2-dimethylpropyl]-2-bromo-3-fluorophenol is sourced from PubChem (CID 131611189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).