4-(4-phenoxyphenyl)thiophen-2-amine

C16H13NOS — CID 82487351

IUPAC4-(4-phenoxyphenyl)thiophen-2-amine
SMILESNc1cc(-c2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C16H13NOS/c17-16-10-13(11-19-16)12-6-8-15(9-7-12)18-14-4-2-1-3-5-14/h1-11H,17H2
InChIKeyKZDDSFJKZOIQCS-UHFFFAOYSA-N
MW267.35 g/mol
LogP4.79
Rot. Bonds3

About 4-(4-phenoxyphenyl)thiophen-2-amine

4-(4-phenoxyphenyl)thiophen-2-amine (PubChem CID 82487351) has the molecular formula C16H13NOS and a molecular weight of 267.35 g/mol. Its IUPAC name is 4-(4-phenoxyphenyl)thiophen-2-amine.

Molecular Properties

Compound Name4-(4-phenoxyphenyl)thiophen-2-amine
PubChem CID82487351
Molecular FormulaC16H13NOS
Molecular Weight267.35 g/mol
Exact Mass267.07
IUPAC Name4-(4-phenoxyphenyl)thiophen-2-amine
SMILESNc1cc(-c2ccc(Oc3ccccc3)cc2)cs1
InChIInChI=1S/C16H13NOS/c17-16-10-13(11-19-16)12-6-8-15(9-7-12)18-14-4-2-1-3-5-14/h1-11H,17H2
InChIKeyKZDDSFJKZOIQCS-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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenoxyphenyl)thiophen-2-amine?
The IUPAC name of 4-(4-phenoxyphenyl)thiophen-2-amine (CID 82487351) is 4-(4-phenoxyphenyl)thiophen-2-amine.
What is the SMILES notation for 4-(4-phenoxyphenyl)thiophen-2-amine?
The canonical SMILES for 4-(4-phenoxyphenyl)thiophen-2-amine is Nc1cc(-c2ccc(Oc3ccccc3)cc2)cs1.
What is the InChIKey of 4-(4-phenoxyphenyl)thiophen-2-amine?
The InChIKey is KZDDSFJKZOIQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NOS/c17-16-10-13(11-19-16)12-6-8-15(9-7-12)18-14-4-2-1-3-5-14/h1-11H,17H2.
What are the key properties of 4-(4-phenoxyphenyl)thiophen-2-amine?
4-(4-phenoxyphenyl)thiophen-2-amine 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-phenoxyphenyl)thiophen-2-amine is sourced from PubChem (CID 82487351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).