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

C17H15NOS — CID 171349082

IUPAC4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine
SMILESCc1ccc(Oc2ccc(-c3csc(N)c3)cc2)cc1
InChIInChI=1S/C17H15NOS/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
InChIKeyQAMBOYMFEHCKTH-UHFFFAOYSA-N
MW281.38 g/mol
LogP5.10
Rot. Bonds3

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

4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine (PubChem CID 171349082) has the molecular formula C17H15NOS and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine.

Molecular Properties

Compound Name4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine
PubChem CID171349082
Molecular FormulaC17H15NOS
Molecular Weight281.38 g/mol
Exact Mass281.09
IUPAC Name4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine
SMILESCc1ccc(Oc2ccc(-c3csc(N)c3)cc2)cc1
InChIInChI=1S/C17H15NOS/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
InChIKeyQAMBOYMFEHCKTH-UHFFFAOYSA-N
XLogP5.10
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.38
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine?
The IUPAC name of 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine (CID 171349082) is 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine.
What is the SMILES notation for 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine?
The canonical SMILES for 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine is Cc1ccc(Oc2ccc(-c3csc(N)c3)cc2)cc1.
What is the InChIKey of 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine?
The InChIKey is QAMBOYMFEHCKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NOS/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.
What are the key properties of 4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine?
4-[4-(4-methylphenoxy)phenyl]thiophen-2-amine has a molecular weight of 281.38 g/mol, XLogP of 5.10, 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 is sourced from PubChem (CID 171349082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).