(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride

C14H20ClFINO — CID 171266073

IUPAC(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](c1cc(I)ccc1F)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H19FINO.ClH/c15-12-7-6-10(16)8-11(12)13(17)14(18)9-4-2-1-3-5-9;/h6-9,13-14,18H,1-5,17H2;1H/t13-,14+;/m1./s1
InChIKeyLTZNHWWZXJMEEV-DFQHDRSWSA-N
MW399.68 g/mol
LogP3.79
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride (PubChem CID 171266073) has the molecular formula C14H20ClFINO and a molecular weight of 399.68 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
PubChem CID171266073
Molecular FormulaC14H20ClFINO
Molecular Weight399.68 g/mol
Exact Mass399.03
IUPAC Name(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](c1cc(I)ccc1F)[C@@H](O)C1CCCCC1
InChIInChI=1S/C14H19FINO.ClH/c15-12-7-6-10(16)8-11(12)13(17)14(18)9-4-2-1-3-5-9;/h6-9,13-14,18H,1-5,17H2;1H/t13-,14+;/m1./s1
InChIKeyLTZNHWWZXJMEEV-DFQHDRSWSA-N
XLogP3.79
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.68
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266069
(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266067
(1S,2R)-2-amino-2-(5-chloro-2-fluorophenyl)-1-cyclohexylethanol;hydrochloride
CID 171261670
(S)-cyclopentyl-(2-fluoro-5-iodophenyl)methanamine
CID 131551788
(1R,2S)-2-amino-1-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171161479
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171160046
(R)-cyclobutyl-(2-fluoro-5-iodophenyl)methanamine;hydrochloride
CID 171216193
(1S,2R)-2-amino-1-cyclopentyl-2-[2-fluoro-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171160000
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-5-methoxyphenyl)ethanol;hydrochloride
CID 171161475
(1R,2S)-2-amino-1-cyclopentyl-2-(2-fluoro-5-methoxyphenyl)ethanol
CID 171161474
(1R,2S)-2-amino-1-cyclobutyl-2-(2,4,5-trifluorophenyl)ethanol;hydrochloride
CID 171161583
(1R,2S)-2-amino-2-(4-chloro-2-fluorophenyl)-1-cyclopentylethanol
CID 171161275

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride (CID 171266073) is (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride is Cl.N[C@H](c1cc(I)ccc1F)[C@@H](O)C1CCCCC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride?
The InChIKey is LTZNHWWZXJMEEV-DFQHDRSWSA-N. The full InChI is InChI=1S/C14H19FINO.ClH/c15-12-7-6-10(16)8-11(12)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-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride has a molecular weight of 399.68 g/mol, XLogP of 3.79, 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-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171266073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).