3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol

C13H16Br3NO2 — CID 171266180

IUPAC3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol
SMILESN[C@H](c1c(Br)cc(Br)c(O)c1Br)[C@@H](O)C1CCCC1
InChIInChI=1S/C13H16Br3NO2/c14-7-5-8(15)13(19)10(16)9(7)11(17)12(18)6-3-1-2-4-6/h5-6,11-12,18-19H,1-4,17H2/t11-,12+/m1/s1
InChIKeyVJOZVWIKALTKGZ-NEPJUHHUSA-N
MW457.99 g/mol
LogP4.23
Rot. Bonds3

About 3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol

3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol (PubChem CID 171266180) has the molecular formula C13H16Br3NO2 and a molecular weight of 457.99 g/mol. Its IUPAC name is 3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol.

Molecular Properties

Compound Name3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol
PubChem CID171266180
Molecular FormulaC13H16Br3NO2
Molecular Weight457.99 g/mol
Exact Mass454.87
IUPAC Name3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol
SMILESN[C@H](c1c(Br)cc(Br)c(O)c1Br)[C@@H](O)C1CCCC1
InChIInChI=1S/C13H16Br3NO2/c14-7-5-8(15)13(19)10(16)9(7)11(17)12(18)6-3-1-2-4-6/h5-6,11-12,18-19H,1-4,17H2/t11-,12+/m1/s1
InChIKeyVJOZVWIKALTKGZ-NEPJUHHUSA-N
XLogP4.23
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.99
LogP ≤ 54.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol;hydrochloride
CID 171266181
3-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-2,4,6-tribromophenol;hydrochloride
CID 171271845
3-[(1R,2S)-1-amino-2-hydroxypropyl]-2,4,6-tribromophenol
CID 131435618
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-4,6-dibromophenol;hydrochloride
CID 171266422
3-[(1R)-1-amino-2,2-difluoroethyl]-2,4,6-tribromophenol;hydrochloride
CID 171245096
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]benzene-1,3,5-triol
CID 171272047
(1S,2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171262994
4-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-3,5-dimethylphenol
CID 171266603
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-6-bromophenol;hydrochloride
CID 171267568
2-[(1S,2R)-1-amino-2-cyclopentyl-2-hydroxyethyl]-6-bromo-4-nitrophenol
CID 171270646
2-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]-4,6-dibromophenol
CID 171266417
(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol
CID 171268665

Frequently Asked Questions

What is the IUPAC name of 3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol?
The IUPAC name of 3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol (CID 171266180) is 3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol.
What is the SMILES notation for 3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol?
The canonical SMILES for 3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol is N[C@H](c1c(Br)cc(Br)c(O)c1Br)[C@@H](O)C1CCCC1.
What is the InChIKey of 3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol?
The InChIKey is VJOZVWIKALTKGZ-NEPJUHHUSA-N. The full InChI is InChI=1S/C13H16Br3NO2/c14-7-5-8(15)13(19)10(16)9(7)11(17)12(18)6-3-1-2-4-6/h5-6,11-12,18-19H,1-4,17H2/t11-,12+/m1/s1.
What are the key properties of 3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol?
3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol has a molecular weight of 457.99 g/mol, XLogP of 4.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R,2S)-1-amino-2-cyclopentyl-2-hydroxyethyl]-2,4,6-tribromophenol is sourced from PubChem (CID 171266180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).