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

C11H16ClI2NO — CID 171251664

IUPAC2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cc(I)cc(I)c1O.Cl
InChIInChI=1S/C11H15I2NO.ClH/c1-11(2,3)10(14)7-4-6(12)5-8(13)9(7)15;/h4-5,10,15H,14H2,1-3H3;1H/t10-;/m0./s1
InChIKeyPQRLCTSEWMXIKS-PPHPATTJSA-N
MW467.52 g/mol
LogP4.07
Rot. Bonds1

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

2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride (PubChem CID 171251664) has the molecular formula C11H16ClI2NO and a molecular weight of 467.52 g/mol. Its IUPAC name is 2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride.

Molecular Properties

Compound Name2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride
PubChem CID171251664
Molecular FormulaC11H16ClI2NO
Molecular Weight467.52 g/mol
Exact Mass466.90
IUPAC Name2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride
SMILESCC(C)(C)[C@@H](N)c1cc(I)cc(I)c1O.Cl
InChIInChI=1S/C11H15I2NO.ClH/c1-11(2,3)10(14)7-4-6(12)5-8(13)9(7)15;/h4-5,10,15H,14H2,1-3H3;1H/t10-;/m0./s1
InChIKeyPQRLCTSEWMXIKS-PPHPATTJSA-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': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-[(1S)-1-amino-2,2-dimethylpropyl]-2,6-diiodophenol;hydrochloride
CID 171244914
2-[(1S)-1-aminoethyl]-4,6-diiodophenol
CID 130709990
2-[(1S,2R)-1-amino-2-hydroxy-3-methylbutyl]-4,6-diiodophenol;hydrochloride
CID 171271648
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol;hydrochloride
CID 171271638
2-[(1S,2R)-1-amino-2-hydroxypropyl]-4,6-diiodophenol
CID 130604734
(1S)-1-(2,5-diiodophenyl)-2,2-dimethylpropan-1-amine
CID 130628960
2-[(1S)-1-aminobutyl]-4,6-diiodophenol
CID 131101034
2-[(1R,2R)-1-amino-3,3,3-trifluoro-2-hydroxypropyl]-4,6-diiodophenol
CID 171265985
2-[(1S)-1,4-diaminobutyl]-4,6-diiodophenol;hydrochloride
CID 171235496
copper 2,4,6-triiodophenol
CID 54602337
2-(1-amino-2,2-dimethylpropyl)-4-iodoaniline
CID 130042651
2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-ditert-butylphenol;hydrochloride
CID 171247011

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride?
The IUPAC name of 2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride (CID 171251664) is 2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride.
What is the SMILES notation for 2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride?
The canonical SMILES for 2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride is CC(C)(C)[C@@H](N)c1cc(I)cc(I)c1O.Cl.
What is the InChIKey of 2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride?
The InChIKey is PQRLCTSEWMXIKS-PPHPATTJSA-N. The full InChI is InChI=1S/C11H15I2NO.ClH/c1-11(2,3)10(14)7-4-6(12)5-8(13)9(7)15;/h4-5,10,15H,14H2,1-3H3;1H/t10-;/m0./s1.
What are the key properties of 2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride?
2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-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 2-[(1R)-1-amino-2,2-dimethylpropyl]-4,6-diiodophenol;hydrochloride is sourced from PubChem (CID 171251664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).