5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine

C15H20N2OS — CID 80739473

IUPAC5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NC(C)Cc2ccsc2)c1
InChIInChI=1S/C15H20N2OS/c1-3-18-15-8-13(16)7-14(9-15)17-11(2)6-12-4-5-19-10-12/h4-5,7-11,17H,3,6,16H2,1-2H3
InChIKeyXCOAMEZJJDLMMK-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.77
Rot. Bonds6

About 5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine

5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine (PubChem CID 80739473) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine.

Molecular Properties

Compound Name5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine
PubChem CID80739473
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine
SMILESCCOc1cc(N)cc(NC(C)Cc2ccsc2)c1
InChIInChI=1S/C15H20N2OS/c1-3-18-15-8-13(16)7-14(9-15)17-11(2)6-12-4-5-19-10-12/h4-5,7-11,17H,3,6,16H2,1-2H3
InChIKeyXCOAMEZJJDLMMK-UHFFFAOYSA-N
XLogP3.77
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.77
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-(1-thiophen-2-ylpropan-2-yl)benzene-1,3-diamine
CID 80735659
5-ethoxy-3-N-thiophen-3-ylbenzene-1,3-diamine
CID 80736004
N-[(4-ethoxyphenyl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61223007
6-methyl-N-(1-thiophen-3-ylpropan-2-yl)pyridin-3-amine
CID 115921558
5-ethoxy-3-N-(1-thiophen-2-ylpropyl)benzene-1,3-diamine
CID 80739715
3-amino-5-ethoxy-N-(thiophen-3-ylmethyl)benzamide
CID 81091317
4-fluoro-2-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 62376964
3-amino-4-ethoxy-N-(1-thiophen-3-ylpropan-2-yl)benzamide
CID 61471915
2-(3-amino-5-ethoxyanilino)-3-methylbutanamide
CID 114176141
3,5-difluoro-1-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,2-diamine
CID 113325205
2-amino-5-(1-thiophen-3-ylpropan-2-ylamino)benzamide
CID 61475795
[1-(5-ethoxy-3-pyridinyl)-2-thiophen-3-ylethyl]hydrazine
CID 105329994

Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine?
The IUPAC name of 5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine (CID 80739473) is 5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine.
What is the SMILES notation for 5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine?
The canonical SMILES for 5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine is CCOc1cc(N)cc(NC(C)Cc2ccsc2)c1.
What is the InChIKey of 5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine?
The InChIKey is XCOAMEZJJDLMMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-18-15-8-13(16)7-14(9-15)17-11(2)6-12-4-5-19-10-12/h4-5,7-11,17H,3,6,16H2,1-2H3.
What are the key properties of 5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine?
5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-3-N-(1-thiophen-3-ylpropan-2-yl)benzene-1,3-diamine is sourced from PubChem (CID 80739473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).