(3,5-diiodophenyl)methanamine;hydrochloride

C7H8ClI2N — CID 134096592

IUPAC(3,5-diiodophenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(I)cc(I)c1
InChIInChI=1S/C7H7I2N.ClH/c8-6-1-5(4-10)2-7(9)3-6;/h1-3H,4,10H2;1H
InChIKeyMYYMGFZSKBSUSB-UHFFFAOYSA-N
MW395.41 g/mol
LogP2.78
Rot. Bonds1

About (3,5-diiodophenyl)methanamine;hydrochloride

(3,5-diiodophenyl)methanamine;hydrochloride (PubChem CID 134096592) has the molecular formula C7H8ClI2N and a molecular weight of 395.41 g/mol. Its IUPAC name is (3,5-diiodophenyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3,5-diiodophenyl)methanamine;hydrochloride
PubChem CID134096592
Molecular FormulaC7H8ClI2N
Molecular Weight395.41 g/mol
Exact Mass394.84
IUPAC Name(3,5-diiodophenyl)methanamine;hydrochloride
SMILESCl.NCc1cc(I)cc(I)c1
InChIInChI=1S/C7H7I2N.ClH/c8-6-1-5(4-10)2-7(9)3-6;/h1-3H,4,10H2;1H
InChIKeyMYYMGFZSKBSUSB-UHFFFAOYSA-N
XLogP2.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 52.78
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 (3,5-diiodophenyl)methanamine;hydrochloride?
The IUPAC name of (3,5-diiodophenyl)methanamine;hydrochloride (CID 134096592) is (3,5-diiodophenyl)methanamine;hydrochloride.
What is the SMILES notation for (3,5-diiodophenyl)methanamine;hydrochloride?
The canonical SMILES for (3,5-diiodophenyl)methanamine;hydrochloride is Cl.NCc1cc(I)cc(I)c1.
What is the InChIKey of (3,5-diiodophenyl)methanamine;hydrochloride?
The InChIKey is MYYMGFZSKBSUSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7I2N.ClH/c8-6-1-5(4-10)2-7(9)3-6;/h1-3H,4,10H2;1H.
What are the key properties of (3,5-diiodophenyl)methanamine;hydrochloride?
(3,5-diiodophenyl)methanamine;hydrochloride has a molecular weight of 395.41 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-diiodophenyl)methanamine;hydrochloride is sourced from PubChem (CID 134096592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).