4-(4-thiophen-2-ylphenoxy)aniline

C16H13NOS — CID 16768553

IUPAC4-(4-thiophen-2-ylphenoxy)aniline
SMILESNc1ccc(Oc2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C16H13NOS/c17-13-5-9-15(10-6-13)18-14-7-3-12(4-8-14)16-2-1-11-19-16/h1-11H,17H2
InChIKeyVSVFTDBNVVDOFT-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.79
Rot. Bonds3

About 4-(4-thiophen-2-ylphenoxy)aniline

4-(4-thiophen-2-ylphenoxy)aniline (PubChem CID 16768553) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-(4-thiophen-2-ylphenoxy)aniline.

Molecular Properties

Compound Name4-(4-thiophen-2-ylphenoxy)aniline
PubChem CID16768553
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name4-(4-thiophen-2-ylphenoxy)aniline
SMILESNc1ccc(Oc2ccc(-c3cccs3)cc2)cc1
InChIInChI=1S/C16H13NOS/c17-13-5-9-15(10-6-13)18-14-7-3-12(4-8-14)16-2-1-11-19-16/h1-11H,17H2
InChIKeyVSVFTDBNVVDOFT-UHFFFAOYSA-N
XLogP4.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-thiophen-2-ylphenoxy)aniline?
The IUPAC name of 4-(4-thiophen-2-ylphenoxy)aniline (CID 16768553) is 4-(4-thiophen-2-ylphenoxy)aniline.
What is the SMILES notation for 4-(4-thiophen-2-ylphenoxy)aniline?
The canonical SMILES for 4-(4-thiophen-2-ylphenoxy)aniline is Nc1ccc(Oc2ccc(-c3cccs3)cc2)cc1.
What is the InChIKey of 4-(4-thiophen-2-ylphenoxy)aniline?
The InChIKey is VSVFTDBNVVDOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c17-13-5-9-15(10-6-13)18-14-7-3-12(4-8-14)16-2-1-11-19-16/h1-11H,17H2.
What are the key properties of 4-(4-thiophen-2-ylphenoxy)aniline?
4-(4-thiophen-2-ylphenoxy)aniline has a molecular weight of 267.35 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-thiophen-2-ylphenoxy)aniline is sourced from PubChem (CID 16768553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).