4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine

C16H12ClNOS — CID 171352051

IUPAC4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine
SMILESNc1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C16H12ClNOS/c17-13-3-7-15(8-4-13)19-14-5-1-11(2-6-14)12-9-16(18)20-10-12/h1-10H,18H2
InChIKeySCHKAERVSAJKOY-UHFFFAOYSA-N
MW301.80 g/mol
LogP5.44
Rot. Bonds3

About 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine

4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine (PubChem CID 171352051) has the molecular formula C16H12ClNOS and a molecular weight of 301.80 g/mol. Its IUPAC name is 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine.

Molecular Properties

Compound Name4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine
PubChem CID171352051
Molecular FormulaC16H12ClNOS
Molecular Weight301.80 g/mol
Exact Mass301.03
IUPAC Name4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine
SMILESNc1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cs1
InChIInChI=1S/C16H12ClNOS/c17-13-3-7-15(8-4-13)19-14-5-1-11(2-6-14)12-9-16(18)20-10-12/h1-10H,18H2
InChIKeySCHKAERVSAJKOY-UHFFFAOYSA-N
XLogP5.44
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.80
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine?
The IUPAC name of 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine (CID 171352051) is 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine.
What is the SMILES notation for 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine?
The canonical SMILES for 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine is Nc1cc(-c2ccc(Oc3ccc(Cl)cc3)cc2)cs1.
What is the InChIKey of 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine?
The InChIKey is SCHKAERVSAJKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNOS/c17-13-3-7-15(8-4-13)19-14-5-1-11(2-6-14)12-9-16(18)20-10-12/h1-10H,18H2.
What are the key properties of 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine?
4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine has a molecular weight of 301.80 g/mol, XLogP of 5.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenoxy)phenyl]thiophen-2-amine is sourced from PubChem (CID 171352051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).