2,6-diiodo-4-[2-(methylamino)propyl]phenol

C10H13I2NO — CID 71359543

IUPAC2,6-diiodo-4-[2-(methylamino)propyl]phenol
SMILESCNC(C)Cc1cc(I)c(O)c(I)c1
InChIInChI=1S/C10H13I2NO/c1-6(13-2)3-7-4-8(11)10(14)9(12)5-7/h4-6,13-14H,3H2,1-2H3
InChIKeyOXHRFFUBPSSUMS-UHFFFAOYSA-N
MW417.03 g/mol
LogP2.75
Rot. Bonds3

About 2,6-diiodo-4-[2-(methylamino)propyl]phenol

2,6-diiodo-4-[2-(methylamino)propyl]phenol (PubChem CID 71359543) has the molecular formula C10H13I2NO and a molecular weight of 417.03 g/mol. Its IUPAC name is 2,6-diiodo-4-[2-(methylamino)propyl]phenol.

Molecular Properties

Compound Name2,6-diiodo-4-[2-(methylamino)propyl]phenol
PubChem CID71359543
Molecular FormulaC10H13I2NO
Molecular Weight417.03 g/mol
Exact Mass416.91
IUPAC Name2,6-diiodo-4-[2-(methylamino)propyl]phenol
SMILESCNC(C)Cc1cc(I)c(O)c(I)c1
InChIInChI=1S/C10H13I2NO/c1-6(13-2)3-7-4-8(11)10(14)9(12)5-7/h4-6,13-14H,3H2,1-2H3
InChIKeyOXHRFFUBPSSUMS-UHFFFAOYSA-N
XLogP2.75
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.03
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-diiodo-4-[2-(methylamino)propyl]phenol?
The IUPAC name of 2,6-diiodo-4-[2-(methylamino)propyl]phenol (CID 71359543) is 2,6-diiodo-4-[2-(methylamino)propyl]phenol.
What is the SMILES notation for 2,6-diiodo-4-[2-(methylamino)propyl]phenol?
The canonical SMILES for 2,6-diiodo-4-[2-(methylamino)propyl]phenol is CNC(C)Cc1cc(I)c(O)c(I)c1.
What is the InChIKey of 2,6-diiodo-4-[2-(methylamino)propyl]phenol?
The InChIKey is OXHRFFUBPSSUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13I2NO/c1-6(13-2)3-7-4-8(11)10(14)9(12)5-7/h4-6,13-14H,3H2,1-2H3.
What are the key properties of 2,6-diiodo-4-[2-(methylamino)propyl]phenol?
2,6-diiodo-4-[2-(methylamino)propyl]phenol has a molecular weight of 417.03 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diiodo-4-[2-(methylamino)propyl]phenol is sourced from PubChem (CID 71359543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).