(1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol

C11H16INO — CID 130724635

IUPAC(1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol
SMILESCC(C)[C@H](O)[C@H](N)c1ccccc1I
InChIInChI=1S/C11H16INO/c1-7(2)11(14)10(13)8-5-3-4-6-9(8)12/h3-7,10-11,14H,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyXWNXRGSQVOIUFA-MNOVXSKESA-N
MW305.16 g/mol
LogP2.31
Rot. Bonds3

About (1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol

(1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol (PubChem CID 130724635) has the molecular formula C11H16INO and a molecular weight of 305.16 g/mol. Its IUPAC name is (1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol.

Molecular Properties

Compound Name(1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol
PubChem CID130724635
Molecular FormulaC11H16INO
Molecular Weight305.16 g/mol
Exact Mass305.03
IUPAC Name(1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol
SMILESCC(C)[C@H](O)[C@H](N)c1ccccc1I
InChIInChI=1S/C11H16INO/c1-7(2)11(14)10(13)8-5-3-4-6-9(8)12/h3-7,10-11,14H,13H2,1-2H3/t10-,11+/m1/s1
InChIKeyXWNXRGSQVOIUFA-MNOVXSKESA-N
XLogP2.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.16
LogP ≤ 52.31
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)-1-amino-1-(2-iodophenyl)propan-2-ol;hydrochloride
CID 171269903
(1S,2R)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol
CID 130701027
(1R,2S)-1-amino-3-methyl-1-(2-methylphenyl)butan-2-ol;hydrochloride
CID 171160093
(1R,2S)-1-amino-1-(2-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171160711
(1R,2S)-1-amino-1-(2-iodophenyl)-5-methylhexan-2-ol
CID 171264246
(1S,2R)-1-amino-1-(2-iodophenyl)butan-2-ol;hydrochloride
CID 171269904
(1S,2R)-1-amino-1-(2-tert-butylsulfanylphenyl)-3-methylbutan-2-ol
CID 171271221
(1S,2R)-1-amino-1-(2,3-dimethylphenyl)-3-methylbutan-2-ol
CID 131347710
(2-iodophenyl)-(4-propan-2-ylphenyl)methanol
CID 61082573
2-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-6-chlorophenol
CID 131290563
(1R,2S)-2-amino-1-cyclobutyl-2-(2-iodophenyl)ethanol
CID 171269906
(1S,2R)-1-amino-1-[2-(4-chlorophenyl)sulfanylphenyl]-3-methylbutan-2-ol
CID 171271330

Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol?
The IUPAC name of (1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol (CID 130724635) is (1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol.
What is the SMILES notation for (1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol?
The canonical SMILES for (1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol is CC(C)[C@H](O)[C@H](N)c1ccccc1I.
What is the InChIKey of (1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol?
The InChIKey is XWNXRGSQVOIUFA-MNOVXSKESA-N. The full InChI is InChI=1S/C11H16INO/c1-7(2)11(14)10(13)8-5-3-4-6-9(8)12/h3-7,10-11,14H,13H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol?
(1R,2S)-1-amino-1-(2-iodophenyl)-3-methylbutan-2-ol has a molecular weight of 305.16 g/mol, XLogP of 2.31, 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-iodophenyl)-3-methylbutan-2-ol is sourced from PubChem (CID 130724635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).