2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine

C13H23NOS — CID 116759180

IUPAC2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine
SMILESCCNC(c1cccs1)C(C)(CC)OCC
InChIInChI=1S/C13H23NOS/c1-5-13(4,15-7-3)12(14-6-2)11-9-8-10-16-11/h8-10,12,14H,5-7H2,1-4H3
InChIKeyOIUIYSCKRVWPAV-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.60
Rot. Bonds7

About 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine

2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine (PubChem CID 116759180) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine
PubChem CID116759180
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine
SMILESCCNC(c1cccs1)C(C)(CC)OCC
InChIInChI=1S/C13H23NOS/c1-5-13(4,15-7-3)12(14-6-2)11-9-8-10-16-11/h8-10,12,14H,5-7H2,1-4H3
InChIKeyOIUIYSCKRVWPAV-UHFFFAOYSA-N
XLogP3.60
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 116726916
1-(2,3-dichlorophenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759210
2-(azepan-1-yl)-N-ethyl-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 79051539
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethyl-2-methylbutan-1-amine
CID 116759031
N-ethyl-2-methyl-2-morpholin-4-yl-1-thiophen-2-ylpropan-1-amine
CID 79052246
2-ethoxy-N-ethyl-1-isoquinolin-8-yl-2-methylbutan-1-amine
CID 103143830
2-ethoxy-N-ethyl-1-(2-methoxy-3,4-dimethylphenyl)-2-methylbutan-1-amine
CID 103433948
N-ethyl-2-methoxy-2-methyl-1-(5-methylthiophen-2-yl)butan-1-amine
CID 116758104
1-(2,6-difluorophenyl)-2-ethoxy-2-methyl-N-propylbutan-1-amine
CID 116759422
1-(3-bromothiophen-2-yl)-N-ethyl-2-methoxy-2-methylbutan-1-amine
CID 116757917
2-ethoxy-1-(furan-2-yl)-2-methyl-N-propylbutan-1-amine
CID 116759333
2-ethoxy-N-ethyl-2-methyl-1-(3-propyltriazol-4-yl)butan-1-amine
CID 114689268

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine (CID 116759180) is 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine is CCNC(c1cccs1)C(C)(CC)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine?
The InChIKey is OIUIYSCKRVWPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-13(4,15-7-3)12(14-6-2)11-9-8-10-16-11/h8-10,12,14H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine?
2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-2-methyl-1-thiophen-2-ylbutan-1-amine is sourced from PubChem (CID 116759180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).