2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine

C13H23NOS — CID 116721090

IUPAC2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
SMILESCCOC(C(C)C)C(NC)c1csc(C)c1
InChIInChI=1S/C13H23NOS/c1-6-15-13(9(2)3)12(14-5)11-7-10(4)16-8-11/h7-9,12-14H,6H2,1-5H3
InChIKeyJRHXOZOSTQMREY-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.38
Rot. Bonds6

About 2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine

2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine (PubChem CID 116721090) has the molecular formula C13H23NOS and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
PubChem CID116721090
Molecular FormulaC13H23NOS
Molecular Weight241.40 g/mol
Exact Mass241.15
IUPAC Name2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
SMILESCCOC(C(C)C)C(NC)c1csc(C)c1
InChIInChI=1S/C13H23NOS/c1-6-15-13(9(2)3)12(14-5)11-7-10(4)16-8-11/h7-9,12-14H,6H2,1-5H3
InChIKeyJRHXOZOSTQMREY-UHFFFAOYSA-N
XLogP3.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N,3-dimethyl-1-(4-propan-2-ylphenyl)butan-1-amine
CID 116721056
2,2-dimethoxy-N-methyl-1-(5-methylthiophen-3-yl)ethanamine
CID 79492752
2-methyl-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 65104961
2-ethoxy-N,3-dimethyl-1-(2-methylquinolin-6-yl)butan-1-amine
CID 116721227
[2-ethoxy-1-(5-methylthiophen-3-yl)pentyl]hydrazine
CID 105271529
N-methyl-1-(5-methylthiophen-3-yl)-2-propan-2-yloxyethanamine
CID 105155405
1-(2,5-dimethylphenyl)-2-ethoxy-N,3-dimethylbutan-1-amine
CID 116721183
2-ethoxy-N,3-dimethyl-1-quinolin-6-ylbutan-1-amine
CID 116721238
2-cyclopropyl-2-ethoxy-N-ethyl-1-(5-methylthiophen-3-yl)ethanamine
CID 116723604
2-ethoxy-N,2-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine
CID 116758763
2-ethoxy-N,3-dimethyl-1-quinolin-3-ylbutan-1-amine
CID 116721032
2-methoxy-1-(5-methylthiophen-3-yl)-N-propylpropan-1-amine
CID 79616237

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine (CID 116721090) is 2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine is CCOC(C(C)C)C(NC)c1csc(C)c1.
What is the InChIKey of 2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine?
The InChIKey is JRHXOZOSTQMREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NOS/c1-6-15-13(9(2)3)12(14-5)11-7-10(4)16-8-11/h7-9,12-14H,6H2,1-5H3.
What are the key properties of 2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine?
2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N,3-dimethyl-1-(5-methylthiophen-3-yl)butan-1-amine is sourced from PubChem (CID 116721090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).