4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide

C17H16INOS — CID 171356315

IUPAC4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide
SMILESCc1ccc(Oc2ccc(-c3csc(N)c3)cc2)cc1.I
InChIInChI=1S/C17H15NOS.HI/c1-12-2-6-15(7-3-12)19-16-8-4-13(5-9-16)14-10-17(18)20-11-14;/h2-11H,18H2,1H3;1H
InChIKeyBZIZLBHBORFUEF-UHFFFAOYSA-N
MW409.29 g/mol
LogP5.72
Rot. Bonds3

About 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide

4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide (PubChem CID 171356315) has the molecular formula C17H16INOS and a molecular weight of 409.29 g/mol. Its IUPAC name is 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide.

Molecular Properties

Compound Name4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide
PubChem CID171356315
Molecular FormulaC17H16INOS
Molecular Weight409.29 g/mol
Exact Mass409.00
IUPAC Name4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide
SMILESCc1ccc(Oc2ccc(-c3csc(N)c3)cc2)cc1.I
InChIInChI=1S/C17H15NOS.HI/c1-12-2-6-15(7-3-12)19-16-8-4-13(5-9-16)14-10-17(18)20-11-14;/h2-11H,18H2,1H3;1H
InChIKeyBZIZLBHBORFUEF-UHFFFAOYSA-N
XLogP5.72
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.29
LogP ≤ 55.72
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-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide?
The IUPAC name of 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide (CID 171356315) is 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide.
What is the SMILES notation for 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide?
The canonical SMILES for 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide is Cc1ccc(Oc2ccc(-c3csc(N)c3)cc2)cc1.I.
What is the InChIKey of 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide?
The InChIKey is BZIZLBHBORFUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS.HI/c1-12-2-6-15(7-3-12)19-16-8-4-13(5-9-16)14-10-17(18)20-11-14;/h2-11H,18H2,1H3;1H.
What are the key properties of 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide?
4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide has a molecular weight of 409.29 g/mol, XLogP of 5.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine;hydroiodide is sourced from PubChem (CID 171356315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).