(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol

C15H19ClF3NO — CID 171160024

IUPAC(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol
SMILESN[C@H](c1cc(C(F)(F)F)ccc1Cl)[C@@H](O)C1CCCCC1
InChIInChI=1S/C15H19ClF3NO/c16-12-7-6-10(15(17,18)19)8-11(12)13(20)14(21)9-4-2-1-3-5-9/h6-9,13-14,21H,1-5,20H2/t13-,14+/m1/s1
InChIKeyVFYKZXUUIXFJHW-KGLIPLIRSA-N
MW321.77 g/mol
LogP4.30
Rot. Bonds3

About (1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol

(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol (PubChem CID 171160024) has the molecular formula C15H19ClF3NO and a molecular weight of 321.77 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol
PubChem CID171160024
Molecular FormulaC15H19ClF3NO
Molecular Weight321.77 g/mol
Exact Mass321.11
IUPAC Name(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol
SMILESN[C@H](c1cc(C(F)(F)F)ccc1Cl)[C@@H](O)C1CCCCC1
InChIInChI=1S/C15H19ClF3NO/c16-12-7-6-10(15(17,18)19)8-11(12)13(20)14(21)9-4-2-1-3-5-9/h6-9,13-14,21H,1-5,20H2/t13-,14+/m1/s1
InChIKeyVFYKZXUUIXFJHW-KGLIPLIRSA-N
XLogP4.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.77
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171161458
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
CID 171263151
(1S,2R)-2-amino-1-cyclohexyl-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 171263233
(1S,2R)-2-amino-1-cyclopentyl-2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171160000
(1S,2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]-1-cyclopentylethanol
CID 171263148
(1R,2S)-2-amino-1-cyclohexyl-2-[2-methoxy-4-(trifluoromethyl)phenyl]ethanol
CID 171271961
(1S,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]propan-2-ol
CID 131404288
(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 171160385
(1R,2S)-1-amino-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbutan-2-ol
CID 171160035
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
CID 171268087
(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethanamine
CID 71074670
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171171751

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol?
The IUPAC name of (1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol (CID 171160024) is (1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol.
What is the SMILES notation for (1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol?
The canonical SMILES for (1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol is N[C@H](c1cc(C(F)(F)F)ccc1Cl)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol?
The InChIKey is VFYKZXUUIXFJHW-KGLIPLIRSA-N. The full InChI is InChI=1S/C15H19ClF3NO/c16-12-7-6-10(15(17,18)19)8-11(12)13(20)14(21)9-4-2-1-3-5-9/h6-9,13-14,21H,1-5,20H2/t13-,14+/m1/s1.
What are the key properties of (1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol?
(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol has a molecular weight of 321.77 g/mol, XLogP of 4.30, 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-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol is sourced from PubChem (CID 171160024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).