1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine

C21H19I2N — CID 22483276

IUPAC1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1-c1ccccc1)c1ccc(I)cc1I
InChIInChI=1S/C21H19I2N/c1-15(19-12-11-18(22)13-21(19)23)24-14-17-9-5-6-10-20(17)16-7-3-2-4-8-16/h2-13,15,24H,14H2,1H3
InChIKeyBDRFBRKETSBIRS-UHFFFAOYSA-N
MW539.20 g/mol
LogP6.41
Rot. Bonds5

About 1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine

1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine (PubChem CID 22483276) has the molecular formula C21H19I2N and a molecular weight of 539.20 g/mol. Its IUPAC name is 1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine
PubChem CID22483276
Molecular FormulaC21H19I2N
Molecular Weight539.20 g/mol
Exact Mass538.96
IUPAC Name1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine
SMILESCC(NCc1ccccc1-c1ccccc1)c1ccc(I)cc1I
InChIInChI=1S/C21H19I2N/c1-15(19-12-11-18(22)13-21(19)23)24-14-17-9-5-6-10-20(17)16-7-3-2-4-8-16/h2-13,15,24H,14H2,1H3
InChIKeyBDRFBRKETSBIRS-UHFFFAOYSA-N
XLogP6.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.20
LogP ≤ 56.41
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 1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine?
The IUPAC name of 1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine (CID 22483276) is 1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine.
What is the SMILES notation for 1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine?
The canonical SMILES for 1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine is CC(NCc1ccccc1-c1ccccc1)c1ccc(I)cc1I.
What is the InChIKey of 1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine?
The InChIKey is BDRFBRKETSBIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19I2N/c1-15(19-12-11-18(22)13-21(19)23)24-14-17-9-5-6-10-20(17)16-7-3-2-4-8-16/h2-13,15,24H,14H2,1H3.
What are the key properties of 1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine?
1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine has a molecular weight of 539.20 g/mol, XLogP of 6.41, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-diiodophenyl)-N-[(2-phenylphenyl)methyl]ethanamine is sourced from PubChem (CID 22483276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).