1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine

C11H18ClNOS — CID 79616113

IUPAC1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
SMILESCCNC(Cc1ccc(Cl)s1)C(C)OC
InChIInChI=1S/C11H18ClNOS/c1-4-13-10(8(2)14-3)7-9-5-6-11(12)15-9/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyGWNLSCIJGWKHNB-UHFFFAOYSA-N
MW247.79 g/mol
LogP2.96
Rot. Bonds6

About 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine

1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine (PubChem CID 79616113) has the molecular formula C11H18ClNOS and a molecular weight of 247.79 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
PubChem CID79616113
Molecular FormulaC11H18ClNOS
Molecular Weight247.79 g/mol
Exact Mass247.08
IUPAC Name1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine
SMILESCCNC(Cc1ccc(Cl)s1)C(C)OC
InChIInChI=1S/C11H18ClNOS/c1-4-13-10(8(2)14-3)7-9-5-6-11(12)15-9/h5-6,8,10,13H,4,7H2,1-3H3
InChIKeyGWNLSCIJGWKHNB-UHFFFAOYSA-N
XLogP2.96
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.79
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-adamantyl)-2-(5-chlorothiophen-2-yl)-N-ethylethanamine
CID 63419605
1-(5-chlorothiophen-2-yl)-N-ethyl-4-methylpentan-2-amine
CID 62600562
1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
CID 105135378
[1-(5-chlorothiophen-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105199674
3-(5-chlorothiophen-2-yl)-N-ethyl-1,1,1-trifluoropropan-2-amine
CID 115841552
1-(5-chlorothiophen-2-yl)-3-ethyl-N-methylpentan-2-amine
CID 115841703
N-ethyl-1-(5-ethylthiophen-2-yl)-3-methylbutan-2-amine
CID 62600764
1-(5-chlorothiophen-2-yl)-N-ethyl-3-ethylsulfanylpropan-2-amine
CID 65128398
1-(5-chlorothiophen-2-yl)-2-methyl-N-propylpentan-3-amine
CID 63560615
2-(5-chlorothiophen-2-yl)-1-(4-ethoxyphenyl)-N-ethylethanamine
CID 115841428
N-[2-(5-chlorothiophen-2-yl)ethyl]-1,1-dimethoxypropan-2-amine
CID 106042292
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(3-propan-2-yloxyphenyl)ethanamine
CID 115841598

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine (CID 79616113) is 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine is CCNC(Cc1ccc(Cl)s1)C(C)OC.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine?
The InChIKey is GWNLSCIJGWKHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClNOS/c1-4-13-10(8(2)14-3)7-9-5-6-11(12)15-9/h5-6,8,10,13H,4,7H2,1-3H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine?
1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine has a molecular weight of 247.79 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-ethyl-3-methoxybutan-2-amine is sourced from PubChem (CID 79616113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).