(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride

C14H19ClF3NO2 — CID 171160319

IUPAC(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCl.N[C@H](c1ccccc1OC(F)(F)F)[C@@H](O)C1CCCC1
InChIInChI=1S/C14H18F3NO2.ClH/c15-14(16,17)20-11-8-4-3-7-10(11)12(18)13(19)9-5-1-2-6-9;/h3-4,7-9,12-13,19H,1-2,5-6,18H2;1H/t12-,13+;/m1./s1
InChIKeyMHZFGFYFIUPYMD-KZCZEQIWSA-N
MW325.76 g/mol
LogP3.56
Rot. Bonds4

About (1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride (PubChem CID 171160319) has the molecular formula C14H19ClF3NO2 and a molecular weight of 325.76 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
PubChem CID171160319
Molecular FormulaC14H19ClF3NO2
Molecular Weight325.76 g/mol
Exact Mass325.11
IUPAC Name(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCl.N[C@H](c1ccccc1OC(F)(F)F)[C@@H](O)C1CCCC1
InChIInChI=1S/C14H18F3NO2.ClH/c15-14(16,17)20-11-8-4-3-7-10(11)12(18)13(19)9-5-1-2-6-9;/h3-4,7-9,12-13,19H,1-2,5-6,18H2;1H/t12-,13+;/m1./s1
InChIKeyMHZFGFYFIUPYMD-KZCZEQIWSA-N
XLogP3.56
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.76
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-amino-2-[5-bromo-2-(trifluoromethoxy)phenyl]-1-cyclopentylethanol
CID 171263460
cyclohexyl-[2-(trifluoromethoxy)phenyl]methanol
CID 62790469
(1S,2R)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171266272
(1S,2R)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethoxy)phenyl]ethanol
CID 171266271
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-4-(trifluoromethoxy)phenol;hydrochloride
CID 171269839
(R)-cyclobutyl-[2-(1,1,2,2-tetrafluoroethoxy)phenyl]methanamine;hydrochloride
CID 171208551
2-cyclohexyl-1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 115850794
(1S,2R)-2-amino-2-[2-chloro-3-(trifluoromethyl)phenyl]-1-cyclopentylethanol;hydrochloride
CID 171263981
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-3-methoxyphenyl)ethanol
CID 171268315
(1S,2R)-1-amino-4-methyl-1-[2-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171161762
(1R,2S)-2-amino-1-cyclopentyl-2-(2,3-dimethoxyphenyl)ethanol
CID 171162145
2-[(S)-amino(cyclobutyl)methyl]-6-(trifluoromethoxy)phenol
CID 171255529

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride (CID 171160319) is (1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride is Cl.N[C@H](c1ccccc1OC(F)(F)F)[C@@H](O)C1CCCC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The InChIKey is MHZFGFYFIUPYMD-KZCZEQIWSA-N. The full InChI is InChI=1S/C14H18F3NO2.ClH/c15-14(16,17)20-11-8-4-3-7-10(11)12(18)13(19)9-5-1-2-6-9;/h3-4,7-9,12-13,19H,1-2,5-6,18H2;1H/t12-,13+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride has a molecular weight of 325.76 g/mol, XLogP of 3.56, 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-1-cyclopentyl-2-[2-(trifluoromethoxy)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 171160319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).