(4-iodophenyl)methanamine

C7H8IN — CID 2737533

IUPAC(4-iodophenyl)methanamine
SMILESNCc1ccc(I)cc1
InChIInChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKeyKCGZGJOBKAXVSU-UHFFFAOYSA-N
MW233.05 g/mol
LogP1.75
Rot. Bonds1

About (4-iodophenyl)methanamine

(4-iodophenyl)methanamine (PubChem CID 2737533) has the molecular formula C7H8IN and a molecular weight of 233.05 g/mol. Its IUPAC name is (4-iodophenyl)methanamine.

Molecular Properties

Compound Name(4-iodophenyl)methanamine
PubChem CID2737533
Molecular FormulaC7H8IN
Molecular Weight233.05 g/mol
Exact Mass232.97
IUPAC Name(4-iodophenyl)methanamine
SMILESNCc1ccc(I)cc1
InChIInChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
InChIKeyKCGZGJOBKAXVSU-UHFFFAOYSA-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 ≤ 500233.05
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 (4-iodophenyl)methanamine?
The IUPAC name of (4-iodophenyl)methanamine (CID 2737533) is (4-iodophenyl)methanamine.
What is the SMILES notation for (4-iodophenyl)methanamine?
The canonical SMILES for (4-iodophenyl)methanamine is NCc1ccc(I)cc1.
What is the InChIKey of (4-iodophenyl)methanamine?
The InChIKey is KCGZGJOBKAXVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2.
What are the key properties of (4-iodophenyl)methanamine?
(4-iodophenyl)methanamine has a molecular weight of 233.05 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 (4-iodophenyl)methanamine is sourced from PubChem (CID 2737533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).