(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride

C11H16ClFINO — CID 171266075

IUPAC(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride
SMILESCC(C)[C@H](O)[C@H](N)c1cc(I)ccc1F.Cl
InChIInChI=1S/C11H15FINO.ClH/c1-6(2)11(15)10(14)8-5-7(13)3-4-9(8)12;/h3-6,10-11,15H,14H2,1-2H3;1H/t10-,11+;/m1./s1
InChIKeyYNZBIOJEEHZRJR-DHXVBOOMSA-N
MW359.61 g/mol
LogP2.87
Rot. Bonds3

About (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride

(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride (PubChem CID 171266075) has the molecular formula C11H16ClFINO and a molecular weight of 359.61 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride
PubChem CID171266075
Molecular FormulaC11H16ClFINO
Molecular Weight359.61 g/mol
Exact Mass358.99
IUPAC Name(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride
SMILESCC(C)[C@H](O)[C@H](N)c1cc(I)ccc1F.Cl
InChIInChI=1S/C11H15FINO.ClH/c1-6(2)11(15)10(14)8-5-7(13)3-4-9(8)12;/h3-6,10-11,15H,14H2,1-2H3;1H/t10-,11+;/m1./s1
InChIKeyYNZBIOJEEHZRJR-DHXVBOOMSA-N
XLogP2.87
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.61
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R)-1-(2-fluoro-5-iodophenyl)-2-methylpropan-1-amine
CID 131075545
(1R,2S)-1-amino-1-(2-fluoro-5-methylphenyl)-3-methylbutan-2-ol
CID 131455693
(1S,2R)-1-amino-1-(2-fluoro-5-iodophenyl)-5-methylhexan-2-ol
CID 171271749
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266067
(1R,2S)-1-amino-1-(2-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171160711
(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)hexan-2-ol;hydrochloride
CID 171266085
(1S,2R)-2-amino-1-cyclobutyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266069
(1S,2R)-2-amino-1-cyclohexyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266073
2-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-4,6-diiodophenol;hydrochloride
CID 171271648
4-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-3-fluorophenol
CID 171266739
(3R)-3-amino-2,2-difluoro-3-(2-fluoro-5-iodophenyl)propan-1-ol;hydrochloride
CID 171245024

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride?
The IUPAC name of (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride (CID 171266075) is (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride?
The canonical SMILES for (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride is CC(C)[C@H](O)[C@H](N)c1cc(I)ccc1F.Cl.
What is the InChIKey of (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride?
The InChIKey is YNZBIOJEEHZRJR-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H15FINO.ClH/c1-6(2)11(15)10(14)8-5-7(13)3-4-9(8)12;/h3-6,10-11,15H,14H2,1-2H3;1H/t10-,11+;/m1./s1.
What are the key properties of (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride?
(1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride has a molecular weight of 359.61 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1-amino-1-(2-fluoro-5-iodophenyl)-3-methylbutan-2-ol;hydrochloride is sourced from PubChem (CID 171266075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).