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

C14H17BrF3NO2 — CID 171263460

IUPAC(1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol
SMILESN[C@H](c1cc(Br)ccc1OC(F)(F)F)[C@@H](O)C1CCCC1
InChIInChI=1S/C14H17BrF3NO2/c15-9-5-6-11(21-14(16,17)18)10(7-9)12(19)13(20)8-3-1-2-4-8/h5-8,12-13,20H,1-4,19H2/t12-,13+/m1/s1
InChIKeyLKBVMJAUPPCUHH-OLZOCXBDSA-N
MW368.19 g/mol
LogP3.90
Rot. Bonds4

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

(1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol (PubChem CID 171263460) has the molecular formula C14H17BrF3NO2 and a molecular weight of 368.19 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol
PubChem CID171263460
Molecular FormulaC14H17BrF3NO2
Molecular Weight368.19 g/mol
Exact Mass367.04
IUPAC Name(1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol
SMILESN[C@H](c1cc(Br)ccc1OC(F)(F)F)[C@@H](O)C1CCCC1
InChIInChI=1S/C14H17BrF3NO2/c15-9-5-6-11(21-14(16,17)18)10(7-9)12(19)13(20)8-3-1-2-4-8/h5-8,12-13,20H,1-4,19H2/t12-,13+/m1/s1
InChIKeyLKBVMJAUPPCUHH-OLZOCXBDSA-N
XLogP3.90
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(R)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopentylmethanamine
CID 171208037
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclobutylmethanamine
CID 171227613
(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171160319
(S)-[5-bromo-2-(trifluoromethoxy)phenyl]-cyclopropylmethanamine
CID 171227615
(1R,2S)-2-amino-2-(5-bromo-2-ethoxyphenyl)-1-cyclobutylethanol
CID 171268602
(1S,2R)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol
CID 171266271
(2S)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171208056
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171269839
(1S,2R)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171266272
cyclohexyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62790469
(1R,2S)-2-amino-1-cyclohexyl-2-(5-fluoro-2-methoxyphenyl)ethanol;hydrochloride
CID 171268203
(1S,2R)-2-amino-1-cyclopropyl-2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanol
CID 171263546

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol?
The IUPAC name of (1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol (CID 171263460) is (1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol.
What is the SMILES notation for (1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol?
The canonical SMILES for (1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol is N[C@H](c1cc(Br)ccc1OC(F)(F)F)[C@@H](O)C1CCCC1.
What is the InChIKey of (1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol?
The InChIKey is LKBVMJAUPPCUHH-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H17BrF3NO2/c15-9-5-6-11(21-14(16,17)18)10(7-9)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-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol?
(1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol has a molecular weight of 368.19 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol is sourced from PubChem (CID 171263460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).