(2,6-dideuterio-4-iodophenyl)methanamine

C7H8IN — CID 11413660

IUPAC(2,6-dideuterio-4-iodophenyl)methanamine
SMILES[2H]c1cc(I)cc([2H])c1CN
InChIInChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/i1D,2D
InChIKeyKCGZGJOBKAXVSU-QDNHWIQGSA-N
MW235.06 g/mol
LogP1.75
Rot. Bonds1

About (2,6-dideuterio-4-iodophenyl)methanamine

(2,6-dideuterio-4-iodophenyl)methanamine (PubChem CID 11413660) has the molecular formula C7H8IN and a molecular weight of 235.06 g/mol. Its IUPAC name is (2,6-dideuterio-4-iodophenyl)methanamine.

Molecular Properties

Compound Name(2,6-dideuterio-4-iodophenyl)methanamine
PubChem CID11413660
Molecular FormulaC7H8IN
Molecular Weight235.06 g/mol
Exact Mass234.98
IUPAC Name(2,6-dideuterio-4-iodophenyl)methanamine
SMILES[2H]c1cc(I)cc([2H])c1CN
InChIInChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/i1D,2D
InChIKeyKCGZGJOBKAXVSU-QDNHWIQGSA-N
XLogP1.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.06
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-dideuterio-4-iodophenyl)methanamine?
The IUPAC name of (2,6-dideuterio-4-iodophenyl)methanamine (CID 11413660) is (2,6-dideuterio-4-iodophenyl)methanamine.
What is the SMILES notation for (2,6-dideuterio-4-iodophenyl)methanamine?
The canonical SMILES for (2,6-dideuterio-4-iodophenyl)methanamine is [2H]c1cc(I)cc([2H])c1CN.
What is the InChIKey of (2,6-dideuterio-4-iodophenyl)methanamine?
The InChIKey is KCGZGJOBKAXVSU-QDNHWIQGSA-N. The full InChI is InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2/i1D,2D.
What are the key properties of (2,6-dideuterio-4-iodophenyl)methanamine?
(2,6-dideuterio-4-iodophenyl)methanamine has a molecular weight of 235.06 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dideuterio-4-iodophenyl)methanamine is sourced from PubChem (CID 11413660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).