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

C16H11Cl2NOS — CID 171348109

IUPAC4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine
SMILESNc1cc(-c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cs1
InChIInChI=1S/C16H11Cl2NOS/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
InChIKeyTXHQZKWIJNNQQQ-UHFFFAOYSA-N
MW336.24 g/mol
LogP6.10
Rot. Bonds3

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

4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine (PubChem CID 171348109) has the molecular formula C16H11Cl2NOS and a molecular weight of 336.24 g/mol. Its IUPAC name is 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine.

Molecular Properties

Compound Name4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine
PubChem CID171348109
Molecular FormulaC16H11Cl2NOS
Molecular Weight336.24 g/mol
Exact Mass334.99
IUPAC Name4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine
SMILESNc1cc(-c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cs1
InChIInChI=1S/C16H11Cl2NOS/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
InChIKeyTXHQZKWIJNNQQQ-UHFFFAOYSA-N
XLogP6.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.24
LogP ≤ 56.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine?
The IUPAC name of 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine (CID 171348109) is 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine.
What is the SMILES notation for 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine?
The canonical SMILES for 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine is Nc1cc(-c2ccc(Oc3ccc(Cl)c(Cl)c3)cc2)cs1.
What is the InChIKey of 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine?
The InChIKey is TXHQZKWIJNNQQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NOS/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.
What are the key properties of 4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine?
4-[4-(3,4-dichlorophenoxy)phenyl]thiophen-2-amine has a molecular weight of 336.24 g/mol, XLogP of 6.10, 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 is sourced from PubChem (CID 171348109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).