(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol

C13H17BrFNO — CID 171267775

IUPAC(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol
SMILESN[C@@H](c1cc(F)cc(Br)c1)[C@H](O)C1CCCC1
InChIInChI=1S/C13H17BrFNO/c14-10-5-9(6-11(15)7-10)12(16)13(17)8-3-1-2-4-8/h5-8,12-13,17H,1-4,16H2/t12-,13+/m0/s1
InChIKeyWAYKCKJJJGYEJF-QWHCGFSZSA-N
MW302.19 g/mol
LogP3.14
Rot. Bonds3

About (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol

(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol (PubChem CID 171267775) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol
PubChem CID171267775
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol
SMILESN[C@@H](c1cc(F)cc(Br)c1)[C@H](O)C1CCCC1
InChIInChI=1S/C13H17BrFNO/c14-10-5-9(6-11(15)7-10)12(16)13(17)8-3-1-2-4-8/h5-8,12-13,17H,1-4,16H2/t12-,13+/m0/s1
InChIKeyWAYKCKJJJGYEJF-QWHCGFSZSA-N
XLogP3.14
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclohexylethanol
CID 171267777
(3-bromo-5-fluorophenyl)-cyclohexylmethanol
CID 66425421
(1R,2S)-2-amino-1-cyclohexyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171268935
(1S,2R)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171262994
[(3-bromo-5-fluorophenyl)-cyclopentylmethyl]hydrazine
CID 105238562
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
(1S,2R)-2-amino-2-(4-bromo-3-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261536
(1R,2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)-1-cyclobutylethanol
CID 171268665
(2S,3S)-3-amino-3-(3-bromo-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171267781
[(3-bromo-5-fluorophenyl)-cyclobutylmethyl]hydrazine
CID 105238751
1-(3-bromo-5-fluorophenyl)-1-cyclohexyl-N-methylmethanamine
CID 66424249
(3-bromo-5-fluorophenyl)-(oxan-3-yl)methanol
CID 107136132

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol?
The IUPAC name of (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol (CID 171267775) is (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol.
What is the SMILES notation for (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol?
The canonical SMILES for (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol is N[C@@H](c1cc(F)cc(Br)c1)[C@H](O)C1CCCC1.
What is the InChIKey of (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol?
The InChIKey is WAYKCKJJJGYEJF-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H17BrFNO/c14-10-5-9(6-11(15)7-10)12(16)13(17)8-3-1-2-4-8/h5-8,12-13,17H,1-4,16H2/t12-,13+/m0/s1.
What are the key properties of (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol?
(1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol has a molecular weight of 302.19 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-2-(3-bromo-5-fluorophenyl)-1-cyclopentylethanol is sourced from PubChem (CID 171267775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).