2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine

C12H16I3NO — CID 63551677

IUPAC2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine
SMILESCC(C)(C)NCCOc1c(I)cc(I)cc1I
InChIInChI=1S/C12H16I3NO/c1-12(2,3)16-4-5-17-11-9(14)6-8(13)7-10(11)15/h6-7,16H,4-5H2,1-3H3
InChIKeyKIMCWOIMEARMLY-UHFFFAOYSA-N
MW570.98 g/mol
LogP4.27
Rot. Bonds4

About 2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine

2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine (PubChem CID 63551677) has the molecular formula C12H16I3NO and a molecular weight of 570.98 g/mol. Its IUPAC name is 2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine
PubChem CID63551677
Molecular FormulaC12H16I3NO
Molecular Weight570.98 g/mol
Exact Mass570.84
IUPAC Name2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine
SMILESCC(C)(C)NCCOc1c(I)cc(I)cc1I
InChIInChI=1S/C12H16I3NO/c1-12(2,3)16-4-5-17-11-9(14)6-8(13)7-10(11)15/h6-7,16H,4-5H2,1-3H3
InChIKeyKIMCWOIMEARMLY-UHFFFAOYSA-N
XLogP4.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.98
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(tert-butylamino)-3-(2,4,6-triiodophenoxy)propan-2-ol
CID 115475970
2-methyl-N-[2-(2,4,6-tribromophenoxy)ethyl]propan-2-amine
CID 63501413
1,3,5-triiodo-2-[2-[2-[2-[2-(2,4,6-triiodophenoxy)ethoxy]ethoxy]ethoxy]ethoxy]benzene
CID 18987005
2-(3-chloropropoxy)-1,3,5-triiodobenzene
CID 43128717
2-dodecoxy-1,3,5-triiodobenzene
CID 139999122
N-[2-(2,6-dibromophenoxy)ethyl]-2-methylpropan-2-amine
CID 61385418
1,3,5-triiodo-2-(methoxymethoxy)benzene
CID 102384226
N-[2-(5,7-dibromo-2-chloroquinolin-8-yl)oxyethyl]-2-methylpropan-2-amine
CID 83171916
[2-oxo-3-[3-oxo-3-[2-(2,4,6-triiodophenoxy)ethylamino]propanoyl]oxypropyl] 3-oxo-3-[2-(2,4,6-triiodophenoxy)ethylamino]propanoate
CID 58957587
N-[2-(2-ethoxyphenoxy)ethyl]-2-methylpropan-2-amine
CID 55070885
N-[2-(2-tert-butylphenoxy)ethyl]-2-methylpropan-2-amine
CID 54797243
N-[2-(2-chloro-4-methylphenoxy)ethyl]-2-methylpropan-2-amine
CID 2261894

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine (CID 63551677) is 2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine is CC(C)(C)NCCOc1c(I)cc(I)cc1I.
What is the InChIKey of 2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine?
The InChIKey is KIMCWOIMEARMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16I3NO/c1-12(2,3)16-4-5-17-11-9(14)6-8(13)7-10(11)15/h6-7,16H,4-5H2,1-3H3.
What are the key properties of 2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine?
2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine has a molecular weight of 570.98 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(2,4,6-triiodophenoxy)ethyl]propan-2-amine is sourced from PubChem (CID 63551677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).