4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide

C16H12Cl2INOS — CID 171348531

IUPAC4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide
SMILESI.Nc1cc(-c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cs1
InChIInChI=1S/C16H11Cl2NOS.HI/c17-14-6-5-13(8-15(14)18)20-12-3-1-10(2-4-12)11-7-16(19)21-9-11;/h1-9H,19H2;1H
InChIKeyQLBNVQPMAMFNLG-UHFFFAOYSA-N
MW464.16 g/mol
LogP6.71
Rot. Bonds3

About 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide

4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide (PubChem CID 171348531) has the molecular formula C16H12Cl2INOS and a molecular weight of 464.16 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide
PubChem CID171348531
Molecular FormulaC16H12Cl2INOS
Molecular Weight464.16 g/mol
Exact Mass462.91
IUPAC Name4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide
SMILESI.Nc1cc(-c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cs1
InChIInChI=1S/C16H11Cl2NOS.HI/c17-14-6-5-13(8-15(14)18)20-12-3-1-10(2-4-12)11-7-16(19)21-9-11;/h1-9H,19H2;1H
InChIKeyQLBNVQPMAMFNLG-UHFFFAOYSA-N
XLogP6.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.16
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide?
The IUPAC name of 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide (CID 171348531) is 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide.
What is the SMILES notation for 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide?
The canonical SMILES for 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide is I.Nc1cc(-c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cs1.
What is the InChIKey of 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide?
The InChIKey is QLBNVQPMAMFNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NOS.HI/c17-14-6-5-13(8-15(14)18)20-12-3-1-10(2-4-12)11-7-16(19)21-9-11;/h1-9H,19H2;1H.
What are the key properties of 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide?
4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide has a molecular weight of 464.16 g/mol, XLogP of 6.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine;hydroiodide is sourced from PubChem (CID 171348531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).