4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine

C12H14N2OS — CID 106748443

IUPAC4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
SMILESNc1ccc(OCCc2cccs2)cc1N
InChIInChI=1S/C12H14N2OS/c13-11-4-3-9(8-12(11)14)15-6-5-10-2-1-7-16-10/h1-4,7-8H,5-6,13-14H2
InChIKeyNAPPFSISBQZIDK-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.53
Rot. Bonds4

About 4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine

4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine (PubChem CID 106748443) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine.

Molecular Properties

Compound Name4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
PubChem CID106748443
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine
SMILESNc1ccc(OCCc2cccs2)cc1N
InChIInChI=1S/C12H14N2OS/c13-11-4-3-9(8-12(11)14)15-6-5-10-2-1-7-16-10/h1-4,7-8H,5-6,13-14H2
InChIKeyNAPPFSISBQZIDK-UHFFFAOYSA-N
XLogP2.53
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine?
The IUPAC name of 4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine (CID 106748443) is 4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine.
What is the SMILES notation for 4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine?
The canonical SMILES for 4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine is Nc1ccc(OCCc2cccs2)cc1N.
What is the InChIKey of 4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine?
The InChIKey is NAPPFSISBQZIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c13-11-4-3-9(8-12(11)14)15-6-5-10-2-1-7-16-10/h1-4,7-8H,5-6,13-14H2.
What are the key properties of 4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine?
4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine has a molecular weight of 234.32 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-ylethoxy)benzene-1,2-diamine is sourced from PubChem (CID 106748443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).