2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine

C13H23NOS — CID 102833842

IUPAC2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine
SMILESCCNC(c1ccsc1C)C(CC)OCC
InChIInChI=1S/C13H23NOS/c1-5-12(15-7-3)13(14-6-2)11-8-9-16-10(11)4/h8-9,12-14H,5-7H2,1-4H3
InChIKeyHXIIRTASPZTCGC-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.52
Rot. Bonds7

About 2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine

2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine (PubChem CID 102833842) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine
PubChem CID102833842
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine
SMILESCCNC(c1ccsc1C)C(CC)OCC
InChIInChI=1S/C13H23NOS/c1-5-12(15-7-3)13(14-6-2)11-8-9-16-10(11)4/h8-9,12-14H,5-7H2,1-4H3
InChIKeyHXIIRTASPZTCGC-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,2-diethyl-1-(2-methylthiophen-3-yl)butan-1-amine
CID 102841988
N-ethyl-2-methyl-1-(2-methylthiophen-3-yl)propan-1-amine
CID 102831917
1-(2,3-dimethylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116716830
[2-methoxy-1-(2-methylthiophen-3-yl)butyl]hydrazine
CID 102843058
2-ethoxy-N-ethyl-1-(2-propan-2-yloxyphenyl)butan-1-amine
CID 116717002
2-ethoxy-N-ethyl-1-(4-ethylphenyl)butan-1-amine
CID 116716895
1-(2,4-dimethoxyphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717031
2-ethyl-1-(2-methylthiophen-3-yl)-N-propylbutan-1-amine
CID 102841986
N-ethyl-N',N'-dimethyl-1-(2-methylthiophen-3-yl)ethane-1,2-diamine
CID 102833204
2-ethoxy-N-ethyl-1-(2-fluoro-3-methoxyphenyl)butan-1-amine
CID 116717005
N-ethyl-4-methoxy-1-(2-methylthiophen-3-yl)pentan-1-amine
CID 102840306
1-(2,6-difluoro-3-methylphenyl)-2-ethoxy-N-ethylbutan-1-amine
CID 116717024

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine (CID 102833842) is 2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine is CCNC(c1ccsc1C)C(CC)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine?
The InChIKey is HXIIRTASPZTCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-5-12(15-7-3)13(14-6-2)11-8-9-16-10(11)4/h8-9,12-14H,5-7H2,1-4H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine?
2-ethoxy-N-ethyl-1-(2-methylthiophen-3-yl)butan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.52, 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-1-(2-methylthiophen-3-yl)butan-1-amine is sourced from PubChem (CID 102833842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).