5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine

C12H14N2OS — CID 80736004

IUPAC5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine
SMILESCCOc1cc(N)cc(Nc2ccsc2)c1
InChIInChI=1S/C12H14N2OS/c1-2-15-12-6-9(13)5-11(7-12)14-10-3-4-16-8-10/h3-8,14H,2,13H2,1H3
InChIKeyVGIABLBNCPPWQO-UHFFFAOYSA-N
MW234.32 g/mol
LogP3.47
Rot. Bonds4

About 5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine

5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine (PubChem CID 80736004) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine
PubChem CID80736004
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine
SMILESCCOc1cc(N)cc(Nc2ccsc2)c1
InChIInChI=1S/C12H14N2OS/c1-2-15-12-6-9(13)5-11(7-12)14-10-3-4-16-8-10/h3-8,14H,2,13H2,1H3
InChIKeyVGIABLBNCPPWQO-UHFFFAOYSA-N
XLogP3.47
TPSA47.28 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 ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-ethoxy-3-N-(4-fluorophenyl)benzene-1,3-diamine
CID 80723582
3-N-(4-bromophenyl)-5-ethoxybenzene-1,3-diamine
CID 80721814
5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine
CID 80739473
5-ethoxy-3-N-(4-methylsulfanylphenyl)benzene-1,3-diamine
CID 80722731
5-ethoxy-3-N-(2-methylphenyl)benzene-1,3-diamine
CID 80721684
5-ethoxy-3-N-(2-iodophenyl)benzene-1,3-diamine
CID 80722252
3-N-(3-chloro-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
CID 107363634
3,5-diethoxyaniline
CID 22605063
3-N-(2-bromo-5-fluorophenyl)-5-ethoxybenzene-1,3-diamine
CID 107634380
3-N-(4-bromo-2-chlorophenyl)-5-ethoxybenzene-1,3-diamine
CID 80722933
3-N-(2,5-dichloro-4-methylphenyl)-5-ethoxybenzene-1,3-diamine
CID 104725826
3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide
CID 81091317

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine (CID 80736004) is 5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine is CCOc1cc(N)cc(Nc2ccsc2)c1.
What is the InChIKey of 5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine?
The InChIKey is VGIABLBNCPPWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-2-15-12-6-9(13)5-11(7-12)14-10-3-4-16-8-10/h3-8,14H,2,13H2,1H3.
What are the key properties of 5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine?
5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine has a molecular weight of 234.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine is sourced from PubChem (CID 80736004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).