2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine

C14H26N2OS — CID 80728615

IUPAC2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine
SMILESCCOCCN(CC)Cc1cc(CNC)sc1C
InChIInChI=1S/C14H26N2OS/c1-5-16(7-8-17-6-2)11-13-9-14(10-15-4)18-12(13)3/h9,15H,5-8,10-11H2,1-4H3
InChIKeyOSDZGZLWQCCXKA-UHFFFAOYSA-N
MW270.44 g/mol
LogP2.63
Rot. Bonds9

About 2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine

2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine (PubChem CID 80728615) has the molecular formula C14H26N2OS and a molecular weight of 270.44 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine
PubChem CID80728615
Molecular FormulaC14H26N2OS
Molecular Weight270.44 g/mol
Exact Mass270.18
IUPAC Name2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine
SMILESCCOCCN(CC)Cc1cc(CNC)sc1C
InChIInChI=1S/C14H26N2OS/c1-5-16(7-8-17-6-2)11-13-9-14(10-15-4)18-12(13)3/h9,15H,5-8,10-11H2,1-4H3
InChIKeyOSDZGZLWQCCXKA-UHFFFAOYSA-N
XLogP2.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]propan-2-amine
CID 80727693
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80727183
N-[[4-(diethylaminomethyl)-5-methylthiophen-2-yl]methyl]propan-2-amine
CID 80727269
4-[[bis(2-ethoxyethyl)amino]methyl]-5-methylthiophene-2-carboxylic acid
CID 82937516
N-[[4-[[2-ethoxyethyl(ethyl)amino]methyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 63691429
N-ethyl-2-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
CID 80727362
N-[[4-[(dipropylamino)methyl]-5-methylthiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 80727929
N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]-N-propylpropan-1-amine
CID 80728012
N-[[4-(ethoxymethyl)-5-methylthiophen-2-yl]methyl]ethanamine
CID 80728560
N-butyl-N-[[2-methyl-5-[(propan-2-ylamino)methyl]thiophen-3-yl]methyl]butan-1-amine
CID 80720308
4-fluoro-N-methyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]aniline
CID 80727150
N-(2-ethoxyethyl)-N-ethyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 63690743

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine?
The IUPAC name of 2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine (CID 80728615) is 2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine.
What is the SMILES notation for 2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine?
The canonical SMILES for 2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine is CCOCCN(CC)Cc1cc(CNC)sc1C.
What is the InChIKey of 2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine?
The InChIKey is OSDZGZLWQCCXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2OS/c1-5-16(7-8-17-6-2)11-13-9-14(10-15-4)18-12(13)3/h9,15H,5-8,10-11H2,1-4H3.
What are the key properties of 2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine?
2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine has a molecular weight of 270.44 g/mol, XLogP of 2.63, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-N-[[2-methyl-5-(methylaminomethyl)thiophen-3-yl]methyl]ethanamine is sourced from PubChem (CID 80728615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).