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

C15H20Cl2F3NO — CID 171161458

IUPAC(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
SMILESCl.N[C@@H](c1cc(C(F)(F)F)ccc1Cl)[C@H](O)C1CCCCC1
InChIInChI=1S/C15H19ClF3NO.ClH/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;1H/t13-,14+;/m0./s1
InChIKeyLVVTXKOPTXZKSX-LMRHVHIWSA-N
MW358.23 g/mol
LogP4.72
Rot. Bonds3

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

(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride (PubChem CID 171161458) has the molecular formula C15H20Cl2F3NO and a molecular weight of 358.23 g/mol. Its IUPAC name is (1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
PubChem CID171161458
Molecular FormulaC15H20Cl2F3NO
Molecular Weight358.23 g/mol
Exact Mass357.09
IUPAC Name(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride
SMILESCl.N[C@@H](c1cc(C(F)(F)F)ccc1Cl)[C@H](O)C1CCCCC1
InChIInChI=1S/C15H19ClF3NO.ClH/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;1H/t13-,14+;/m0./s1
InChIKeyLVVTXKOPTXZKSX-LMRHVHIWSA-N
XLogP4.72
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.23
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,2R)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol
CID 171160024
(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-1-cyclohexyl-2-[2-fluoro-4-(trifluoromethyl)phenyl]ethanol
CID 171263233
(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
2-[(1S,2R)-1-amino-2-cyclohexyl-2-hydroxyethyl]-6-chlorophenol;hydrochloride
CID 171268087
1-[(R)-[2-chloro-5-(trifluoromethyl)phenyl]-cyclohexylmethyl]piperazine;hydrochloride
CID 171171751
2-[(R)-amino(cyclohexyl)methyl]-4-(trifluoromethyl)phenol;hydrochloride
CID 171258089
(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride?
The IUPAC name of (1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride (CID 171161458) is (1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride.
What is the SMILES notation for (1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride?
The canonical SMILES for (1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride is Cl.N[C@@H](c1cc(C(F)(F)F)ccc1Cl)[C@H](O)C1CCCCC1.
What is the InChIKey of (1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride?
The InChIKey is LVVTXKOPTXZKSX-LMRHVHIWSA-N. The full InChI is InChI=1S/C15H19ClF3NO.ClH/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;1H/t13-,14+;/m0./s1.
What are the key properties of (1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride?
(1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride has a molecular weight of 358.23 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-2-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyclohexylethanol;hydrochloride is sourced from PubChem (CID 171161458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).