2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine

C15H20N2OS — CID 63675312

IUPAC2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCCOc1cc(N(C)C(C)c2cccs2)ccc1N
InChIInChI=1S/C15H20N2OS/c1-4-18-14-10-12(7-8-13(14)16)17(3)11(2)15-6-5-9-19-15/h5-11H,4,16H2,1-3H3
InChIKeyHYUWQOTVKHFOHW-UHFFFAOYSA-N
MW276.41 g/mol
LogP3.93
Rot. Bonds5

About 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine

2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine (PubChem CID 63675312) has the molecular formula C15H20N2OS and a molecular weight of 276.41 g/mol. Its IUPAC name is 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
PubChem CID63675312
Molecular FormulaC15H20N2OS
Molecular Weight276.41 g/mol
Exact Mass276.13
IUPAC Name2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine
SMILESCCOc1cc(N(C)C(C)c2cccs2)ccc1N
InChIInChI=1S/C15H20N2OS/c1-4-18-14-10-12(7-8-13(14)16)17(3)11(2)15-6-5-9-19-15/h5-11H,4,16H2,1-3H3
InChIKeyHYUWQOTVKHFOHW-UHFFFAOYSA-N
XLogP3.93
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
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 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The IUPAC name of 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine (CID 63675312) is 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine.
What is the SMILES notation for 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The canonical SMILES for 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine is CCOc1cc(N(C)C(C)c2cccs2)ccc1N.
What is the InChIKey of 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
The InChIKey is HYUWQOTVKHFOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-4-18-14-10-12(7-8-13(14)16)17(3)11(2)15-6-5-9-19-15/h5-11H,4,16H2,1-3H3.
What are the key properties of 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine?
2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine has a molecular weight of 276.41 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4-N-methyl-4-N-(1-thiophen-2-ylethyl)benzene-1,4-diamine is sourced from PubChem (CID 63675312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).