(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride

C12H15ClF3NO2 — CID 171160346

IUPAC(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCl.N[C@H](c1cccc(OC(F)(F)F)c1)[C@@H](O)C1CC1
InChIInChI=1S/C12H14F3NO2.ClH/c13-12(14,15)18-9-3-1-2-8(6-9)10(16)11(17)7-4-5-7;/h1-3,6-7,10-11,17H,4-5,16H2;1H/t10-,11+;/m1./s1
InChIKeyWMWBXXKQZFLIDI-DHXVBOOMSA-N
MW297.70 g/mol
LogP2.78
Rot. Bonds4

About (1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride (PubChem CID 171160346) has the molecular formula C12H15ClF3NO2 and a molecular weight of 297.70 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
PubChem CID171160346
Molecular FormulaC12H15ClF3NO2
Molecular Weight297.70 g/mol
Exact Mass297.07
IUPAC Name(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride
SMILESCl.N[C@H](c1cccc(OC(F)(F)F)c1)[C@@H](O)C1CC1
InChIInChI=1S/C12H14F3NO2.ClH/c13-12(14,15)18-9-3-1-2-8(6-9)10(16)11(17)7-4-5-7;/h1-3,6-7,10-11,17H,4-5,16H2;1H/t10-,11+;/m1./s1
InChIKeyWMWBXXKQZFLIDI-DHXVBOOMSA-N
XLogP2.78
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.70
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R,2S)-2-amino-1-cyclopropyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171268438
(1S,2R)-2-amino-1-cyclobutyl-2-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethanol;hydrochloride
CID 171159807
(R)-cyclopropyl-[3-(trifluoromethoxy)phenyl]methanamine;hydrochloride
CID 171210195
2-cyclopropyl-1-[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 115854106
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]propan-2-ol;hydrochloride
CID 171161777
(1S,2R)-2-amino-1-cyclopentyl-2-[3-(difluoromethoxy)phenyl]ethanol;hydrochloride
CID 171262769
(1S,2R)-1-amino-3-methyl-1-[3-(trifluoromethoxy)phenyl]butan-2-ol;hydrochloride
CID 171161785
(1S)-2,2-difluoro-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 171249830
(1R,2S)-2-amino-1-cyclopropyl-2-[3-fluoro-4-(trifluoromethoxy)phenyl]ethanol;hydrochloride
CID 171269220
(1S,2R)-1-amino-1-[3-(trifluoromethoxy)phenyl]pentan-2-ol;hydrochloride
CID 171161781
2-[(1R,2S)-1-amino-2-cyclopropyl-2-hydroxyethyl]-4-(trifluoromethoxy)phenol
CID 171264157
(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-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride (CID 171160346) is (1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride is Cl.N[C@H](c1cccc(OC(F)(F)F)c1)[C@@H](O)C1CC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
The InChIKey is WMWBXXKQZFLIDI-DHXVBOOMSA-N. The full InChI is InChI=1S/C12H14F3NO2.ClH/c13-12(14,15)18-9-3-1-2-8(6-9)10(16)11(17)7-4-5-7;/h1-3,6-7,10-11,17H,4-5,16H2;1H/t10-,11+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride has a molecular weight of 297.70 g/mol, XLogP of 2.78, 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-cyclopropyl-2-[3-(trifluoromethoxy)phenyl]ethanol;hydrochloride is sourced from PubChem (CID 171160346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).