(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol

C14H17BrF3NO — CID 171263148

IUPAC(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol
SMILESN[C@H](c1cc(C(F)(F)F)ccc1Br)[C@@H](O)C1CCCC1
InChIInChI=1S/C14H17BrF3NO/c15-11-6-5-9(14(16,17)18)7-10(11)12(19)13(20)8-3-1-2-4-8/h5-8,12-13,20H,1-4,19H2/t12-,13+/m1/s1
InChIKeySRJOTCZPVKPRMQ-OLZOCXBDSA-N
MW352.19 g/mol
LogP4.02
Rot. Bonds3

About (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol

(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol (PubChem CID 171263148) has the molecular formula C14H17BrF3NO and a molecular weight of 352.19 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol
PubChem CID171263148
Molecular FormulaC14H17BrF3NO
Molecular Weight352.19 g/mol
Exact Mass351.04
IUPAC Name(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol
SMILESN[C@H](c1cc(C(F)(F)F)ccc1Br)[C@@H](O)C1CCCC1
InChIInChI=1S/C14H17BrF3NO/c15-11-6-5-9(14(16,17)18)7-10(11)12(19)13(20)8-3-1-2-4-8/h5-8,12-13,20H,1-4,19H2/t12-,13+/m1/s1
InChIKeySRJOTCZPVKPRMQ-OLZOCXBDSA-N
XLogP4.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171263151
(1S,2R)-2-amino-1-cyclopentyl-2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171160000
(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol
CID 171160024
[2-bromo-5-(trifluoromethyl)phenyl]-cyclobutylmethanamine
CID 43825557
(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171161458
(1S,2R)-2-amino-1-cyclohexyl-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 171263233
(1R,2S)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol
CID 171271961
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
(1R,2S)-1-amino-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol
CID 171263154
(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 171160385
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine
CID 171226771
[2-bromo-5-(trifluoromethyl)phenyl]-(4-methylcyclohexyl)methanamine
CID 104987940

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol?
The IUPAC name of (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol (CID 171263148) is (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol.
What is the SMILES notation for (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol?
The canonical SMILES for (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol is N[C@H](c1cc(C(F)(F)F)ccc1Br)[C@@H](O)C1CCCC1.
What is the InChIKey of (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol?
The InChIKey is SRJOTCZPVKPRMQ-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17BrF3NO/c15-11-6-5-9(14(16,17)18)7-10(11)12(19)13(20)8-3-1-2-4-8/h5-8,12-13,20H,1-4,19H2/t12-,13+/m1/s1.
What are the key properties of (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol?
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol has a molecular weight of 352.19 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol is sourced from PubChem (CID 171263148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).