2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol

C11H13Br2NO — CID 131534565

IUPAC2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol
SMILESN[C@@H](c1cc(Br)cc(Br)c1O)C1CCC1
InChIInChI=1S/C11H13Br2NO/c12-7-4-8(11(15)9(13)5-7)10(14)6-2-1-3-6/h4-6,10,15H,1-3,14H2/t10-/m1/s1
InChIKeyYIDJTXNBIKPMPJ-SNVBAGLBSA-N
MW335.04 g/mol
LogP3.72
Rot. Bonds2

About 2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol

2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol (PubChem CID 131534565) has the molecular formula C11H13Br2NO and a molecular weight of 335.04 g/mol. Its IUPAC name is 2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol.

Molecular Properties

Compound Name2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol
PubChem CID131534565
Molecular FormulaC11H13Br2NO
Molecular Weight335.04 g/mol
Exact Mass332.94
IUPAC Name2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol
SMILESN[C@@H](c1cc(Br)cc(Br)c1O)C1CCC1
InChIInChI=1S/C11H13Br2NO/c12-7-4-8(11(15)9(13)5-7)10(14)6-2-1-3-6/h4-6,10,15H,1-3,14H2/t10-/m1/s1
InChIKeyYIDJTXNBIKPMPJ-SNVBAGLBSA-N
XLogP3.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.04
LogP ≤ 53.72
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-[(S)-amino(cyclopropyl)methyl]-4,6-dibromophenol;hydrochloride
CID 171217183
2-[(S)-amino(oxan-4-yl)methyl]-4,6-dibromophenol;hydrochloride
CID 171238683
2-[(R)-amino(cyclobutyl)methyl]-6-bromo-4-methoxyphenol;hydrochloride
CID 171257666
2-[(R)-amino(cyclopentyl)methyl]-4-bromo-6-fluorophenol
CID 131256962
2-[(S)-amino(cyclopentyl)methyl]-4-bromo-6-chlorophenol
CID 131586539
3-[(S)-amino(cyclobutyl)methyl]-5-bromo-4-hydroxybenzoic acid
CID 171254794
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-4,6-dibromophenol;hydrochloride
CID 171266422
2-[(R)-amino(cyclohexyl)methyl]-6-bromo-4-chlorophenol
CID 171257056
3-[(R)-amino(cyclobutyl)methyl]-5-bromo-2-hydroxybenzoic acid;hydrochloride
CID 171258421
2-[(S)-amino(cyclohexyl)methyl]-6-bromo-4-chlorophenol;hydrochloride
CID 171253713
3-[(R)-amino(cyclohexyl)methyl]-5-bromo-4-hydroxybenzonitrile;hydrochloride
CID 171257806
2-[(R)-amino(cyclopropyl)methyl]-4-bromo-6-fluorophenol
CID 130715689

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol?
The IUPAC name of 2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol (CID 131534565) is 2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol.
What is the SMILES notation for 2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol?
The canonical SMILES for 2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol is N[C@@H](c1cc(Br)cc(Br)c1O)C1CCC1.
What is the InChIKey of 2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol?
The InChIKey is YIDJTXNBIKPMPJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13Br2NO/c12-7-4-8(11(15)9(13)5-7)10(14)6-2-1-3-6/h4-6,10,15H,1-3,14H2/t10-/m1/s1.
What are the key properties of 2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol?
2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol has a molecular weight of 335.04 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-amino(cyclobutyl)methyl]-4,6-dibromophenol is sourced from PubChem (CID 131534565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).