(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride

C14H20Cl2FNO — CID 171261670

IUPAC(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
SMILESCl.N[C@H](c1cc(Cl)ccc1F)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H19ClFNO.ClH/c15-10-6-7-12(16)11(8-10)13(17)14(18)9-4-2-1-3-5-9;/h6-9,13-14,18H,1-5,17H2;1H/t13-,14+;/m1./s1
InChIKeyYTWSNNKATUBUJK-DFQHDRSWSA-N
MW308.22 g/mol
LogP3.84
Rot. Bonds3

About (1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride

(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride (PubChem CID 171261670) has the molecular formula C14H20Cl2FNO and a molecular weight of 308.22 g/mol. Its IUPAC name is (1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
PubChem CID171261670
Molecular FormulaC14H20Cl2FNO
Molecular Weight308.22 g/mol
Exact Mass307.09
IUPAC Name(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
SMILESCl.N[C@H](c1cc(Cl)ccc1F)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H19ClFNO.ClH/c15-10-6-7-12(16)11(8-10)13(17)14(18)9-4-2-1-3-5-9;/h6-9,13-14,18H,1-5,17H2;1H/t13-,14+;/m1./s1
InChIKeyYTWSNNKATUBUJK-DFQHDRSWSA-N
XLogP3.84
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
CID 171161275
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266073
(1R,2S)-2-amino-2-(2-amino-5-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171270956
(R)-(5-chloro-2-fluorophenyl)-cyclohexylmethanamine;hydrochloride
CID 171202097
(1S,2R)-2-amino-2-(2-bromo-5-chlorophenyl)-1-cyclohexylethanol
CID 171262028
(1R,2S)-2-amino-1-cyclopentyl-2-(2,4-dichlorophenyl)ethanol;hydrochloride
CID 171162618
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171161479
(1S,2R)-2-amino-2-(5-chloro-2-methoxyphenyl)-1-cyclohexylethanol;hydrochloride
CID 171265627
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171160046
(1S,2R)-2-amino-1-cyclopentyl-2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171160000
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266069
(1S,2R)-2-amino-2-(4-chloro-2-methylphenyl)-1-cyclopentylethanol;hydrochloride
CID 171264569

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride (CID 171261670) is (1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride is Cl.N[C@H](c1cc(Cl)ccc1F)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride?
The InChIKey is YTWSNNKATUBUJK-DFQHDRSWSA-N. The full InChI is InChI=1S/C14H19ClFNO.ClH/c15-10-6-7-12(16)11(8-10)13(17)14(18)9-4-2-1-3-5-9;/h6-9,13-14,18H,1-5,17H2;1H/t13-,14+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride?
(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride has a molecular weight of 308.22 g/mol, XLogP of 3.84, 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-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride is sourced from PubChem (CID 171261670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).