(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride

C11H15ClINO — CID 171261933

IUPAC(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](c1ccc(I)cc1)[C@@H](O)C1CC1
InChIInChI=1S/C11H14INO.ClH/c12-9-5-3-7(4-6-9)10(13)11(14)8-1-2-8;/h3-6,8,10-11,14H,1-2,13H2;1H/t10-,11+;/m1./s1
InChIKeyILMBMDQTFAYAPM-DHXVBOOMSA-N
MW339.60 g/mol
LogP2.48
Rot. Bonds3

About (1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride

(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride (PubChem CID 171261933) has the molecular formula C11H15ClINO and a molecular weight of 339.60 g/mol. Its IUPAC name is (1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride
PubChem CID171261933
Molecular FormulaC11H15ClINO
Molecular Weight339.60 g/mol
Exact Mass338.99
IUPAC Name(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride
SMILESCl.N[C@H](c1ccc(I)cc1)[C@@H](O)C1CC1
InChIInChI=1S/C11H14INO.ClH/c12-9-5-3-7(4-6-9)10(13)11(14)8-1-2-8;/h3-6,8,10-11,14H,1-2,13H2;1H/t10-,11+;/m1./s1
InChIKeyILMBMDQTFAYAPM-DHXVBOOMSA-N
XLogP2.48
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.60
LogP ≤ 52.48
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-2-(4-chlorophenyl)-1-cyclopropylethanol
CID 130803068
2-amino-1-cyclopropyl-2-phenylethanol
CID 62720038
(1R,2S)-2-amino-1-cyclopropyl-2-(3-iodophenyl)ethanol
CID 131188755
4-[(1S,2R)-1-amino-2-cyclopropyl-2-hydroxyethyl]benzoic acid;hydrochloride
CID 171266506
(1S,2R)-2-amino-2-(4-chlorophenyl)-1-cyclopentylethanol;hydrochloride
CID 171161173
(1S,2R)-2-amino-1-cyclopropyl-2-(4-propan-2-yloxyphenyl)ethanol
CID 171264329
(1S,2R)-2-amino-1-cyclopropyl-2-(2-fluoro-5-iodophenyl)ethanol;hydrochloride
CID 171266067
(1R,2S)-2-amino-1-cyclobutyl-2-(4-propan-2-ylphenyl)ethanol
CID 171162391
(1S,2R)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171261250
(1S,2R)-2-amino-1-cyclopropyl-2-[4-(trifluoromethylsulfanyl)phenyl]ethanol
CID 171263172
(1R,2S)-2-amino-1-cyclopropyl-2-(4-fluoro-3-methylphenyl)ethanol
CID 171267876
(1R,2S)-2-amino-1-cyclobutyl-2-(3,4-dimethylphenyl)ethanol;hydrochloride
CID 171266933

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride?
The IUPAC name of (1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride (CID 171261933) is (1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride.
What is the SMILES notation for (1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride?
The canonical SMILES for (1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride is Cl.N[C@H](c1ccc(I)cc1)[C@@H](O)C1CC1.
What is the InChIKey of (1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride?
The InChIKey is ILMBMDQTFAYAPM-DHXVBOOMSA-N. The full InChI is InChI=1S/C11H14INO.ClH/c12-9-5-3-7(4-6-9)10(13)11(14)8-1-2-8;/h3-6,8,10-11,14H,1-2,13H2;1H/t10-,11+;/m1./s1.
What are the key properties of (1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride?
(1S,2R)-2-amino-1-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride has a molecular weight of 339.60 g/mol, XLogP of 2.48, 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-cyclopropyl-2-(4-iodophenyl)ethanol;hydrochloride is sourced from PubChem (CID 171261933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).