2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine

C11H19NOS — CID 105013840

IUPAC2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine
SMILESCCC(CC)C(N)c1sccc1OC
InChIInChI=1S/C11H19NOS/c1-4-8(5-2)10(12)11-9(13-3)6-7-14-11/h6-8,10H,4-5,12H2,1-3H3
InChIKeyWCAVFKIRYYIGIA-UHFFFAOYSA-N
MW213.35 g/mol
LogP3.19
Rot. Bonds5

About 2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine

2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine (PubChem CID 105013840) has the molecular formula C11H19NOS and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine
PubChem CID105013840
Molecular FormulaC11H19NOS
Molecular Weight213.35 g/mol
Exact Mass213.12
IUPAC Name2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine
SMILESCCC(CC)C(N)c1sccc1OC
InChIInChI=1S/C11H19NOS/c1-4-8(5-2)10(12)11-9(13-3)6-7-14-11/h6-8,10H,4-5,12H2,1-3H3
InChIKeyWCAVFKIRYYIGIA-UHFFFAOYSA-N
XLogP3.19
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxythiophen-2-yl)propylhydrazine
CID 105281967
2-(aminomethyl)-1-(3-methoxythiophen-2-yl)pentan-1-ol
CID 81128612
(3-chlorothiophen-2-yl)-(3-methoxythiophen-2-yl)methanamine
CID 81121868
4,4,4-trifluoro-1-(3-methoxythiophen-2-yl)butan-1-amine
CID 104992725
1-(3-methoxythiophen-2-yl)-N,3-dimethylpentan-1-amine
CID 115846200
(3-methoxythiophen-2-yl)-(4-methylphenyl)methanamine
CID 81127360
2-[(4-butan-2-ylphenyl)-chloromethyl]-3-methoxythiophene
CID 81123179
(3,5-dimethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 105013575
N-ethyl-1-(3-methoxythiophen-2-yl)prop-2-en-1-amine
CID 105001098
1-(3-methoxythiophen-2-yl)decan-1-ol
CID 115782906
(5-bromo-2-ethoxyphenyl)-(3-methoxythiophen-2-yl)methanamine
CID 81126555
1-(3-methoxythiophen-2-yl)nonylhydrazine
CID 105294508

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine?
The IUPAC name of 2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine (CID 105013840) is 2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine.
What is the SMILES notation for 2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine?
The canonical SMILES for 2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine is CCC(CC)C(N)c1sccc1OC.
What is the InChIKey of 2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine?
The InChIKey is WCAVFKIRYYIGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NOS/c1-4-8(5-2)10(12)11-9(13-3)6-7-14-11/h6-8,10H,4-5,12H2,1-3H3.
What are the key properties of 2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine?
2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine has a molecular weight of 213.35 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(3-methoxythiophen-2-yl)butan-1-amine is sourced from PubChem (CID 105013840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).