3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine

C11H19NOS — CID 64542223

IUPAC3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine
SMILESCCOC(C)C(Cc1ccsc1)NC
InChIInChI=1S/C11H19NOS/c1-4-13-9(2)11(12-3)7-10-5-6-14-8-10/h5-6,8-9,11-12H,4,7H2,1-3H3
InChIKeyGTYFQWWBSYLOER-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.30
Rot. Bonds6

About 3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine

3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine (PubChem CID 64542223) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine
PubChem CID64542223
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine
SMILESCCOC(C)C(Cc1ccsc1)NC
InChIInChI=1S/C11H19NOS/c1-4-13-9(2)11(12-3)7-10-5-6-14-8-10/h5-6,8-9,11-12H,4,7H2,1-3H3
InChIKeyGTYFQWWBSYLOER-UHFFFAOYSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-ethoxy-N-ethyl-1-thiophen-3-ylpentan-3-amine
CID 64535420
(1,1-diethoxy-3-thiophen-3-ylpropan-2-yl)hydrazine
CID 105246462
1,1-difluoro-N-methyl-3-thiophen-3-ylpropan-2-amine
CID 103516544
4-ethoxy-N-methyl-1-thiophen-3-ylhexan-3-amine
CID 116716710
3-ethoxy-1-(5-ethylthiophen-2-yl)-N-methylbutan-2-amine
CID 64539860
N-methyl-3-phenyl-1-thiophen-3-ylpentan-2-amine
CID 115845128
3-ethoxy-1-(3-fluorophenyl)-N-methylbutan-2-amine
CID 64532588
3-(propan-2-yloxymethyl)thiophene
CID 146745191
N-methyl-1-propan-2-ylsulfanyl-3-thiophen-3-ylpropan-2-amine
CID 65132227
(2S)-2-ethoxy-3-thiophen-3-ylpropanoic acid
CID 11608110
3-ethoxy-N,3-dimethyl-1-thiophen-3-ylpentan-2-amine
CID 116758877
3-ethoxy-1-(2-fluorophenyl)-N-methylbutan-2-amine
CID 64533184

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine?
The IUPAC name of 3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine (CID 64542223) is 3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine.
What is the SMILES notation for 3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine?
The canonical SMILES for 3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine is CCOC(C)C(Cc1ccsc1)NC.
What is the InChIKey of 3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine?
The InChIKey is GTYFQWWBSYLOER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-4-13-9(2)11(12-3)7-10-5-6-14-8-10/h5-6,8-9,11-12H,4,7H2,1-3H3.
What are the key properties of 3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine?
3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-methyl-1-thiophen-3-ylbutan-2-amine is sourced from PubChem (CID 64542223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).