4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride

C11H16ClI2NO — CID 171244914

IUPAC4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride
SMILESCC(C)(C)[C@H](N)c1cc(I)c(O)c(I)c1.Cl
InChIInChI=1S/C11H15I2NO.ClH/c1-11(2,3)10(14)6-4-7(12)9(15)8(13)5-6;/h4-5,10,15H,14H2,1-3H3;1H/t10-;/m1./s1
InChIKeyZJQGLRIVXHCDAJ-HNCPQSOCSA-N
MW467.52 g/mol
LogP4.07
Rot. Bonds1

About 4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride

4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride (PubChem CID 171244914) has the molecular formula C11H16ClI2NO and a molecular weight of 467.52 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride.

Molecular Properties

Compound Name4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride
PubChem CID171244914
Molecular FormulaC11H16ClI2NO
Molecular Weight467.52 g/mol
Exact Mass466.90
IUPAC Name4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride
SMILESCC(C)(C)[C@H](N)c1cc(I)c(O)c(I)c1.Cl
InChIInChI=1S/C11H15I2NO.ClH/c1-11(2,3)10(14)6-4-7(12)9(15)8(13)5-6;/h4-5,10,15H,14H2,1-3H3;1H/t10-;/m1./s1
InChIKeyZJQGLRIVXHCDAJ-HNCPQSOCSA-N
XLogP4.07
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.52
LogP ≤ 54.07
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

2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride
CID 171251664
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-dimethylphenol;hydrochloride
CID 171241360
methyl (3R)-3-amino-3-(4-hydroxy-3,5-diiodophenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171244903
4-[(1R)-1-amino-2,2-dimethylpropyl]-2,6-dibromophenol;hydrochloride
CID 171246271
methyl (3S)-3-amino-3-(4-hydroxy-3,5-diiodophenyl)-2,2-dimethylpropanoate
CID 171251635
4-(1-amino-2,2-dimethylpropyl)-2,6-difluorophenol
CID 130042032
4-[(1S)-1-amino-2-fluoroethyl]-2,6-diiodophenol;hydrochloride
CID 171215816
4-[(1S)-1-amino-4,4,4-trifluorobutyl]-2,6-diiodophenol;hydrochloride
CID 171235469
(1R)-1-(4-chloro-3-iodophenyl)-2,2-dimethylpropan-1-amine
CID 131172460
(1S)-1-(4-bromo-3-iodophenyl)-2,2-dimethylpropan-1-amine
CID 130634470
methyl (2R)-2-amino-2-(4-hydroxy-3,5-diiodophenyl)acetate;hydrochloride
CID 171235485
4-[(1R)-1-amino-2,2-dimethylpropyl]benzene-1,2-diol;hydrochloride
CID 171245558

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride?
The IUPAC name of 4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride (CID 171244914) is 4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride.
What is the SMILES notation for 4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride?
The canonical SMILES for 4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride is CC(C)(C)[C@H](N)c1cc(I)c(O)c(I)c1.Cl.
What is the InChIKey of 4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride?
The InChIKey is ZJQGLRIVXHCDAJ-HNCPQSOCSA-N. The full InChI is InChI=1S/C11H15I2NO.ClH/c1-11(2,3)10(14)6-4-7(12)9(15)8(13)5-6;/h4-5,10,15H,14H2,1-3H3;1H/t10-;/m1./s1.
What are the key properties of 4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride?
4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride has a molecular weight of 467.52 g/mol, XLogP of 4.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride is sourced from PubChem (CID 171244914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).