2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine

C11H16ClNOS — CID 115841479

IUPAC2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
SMILESCC1CCC(C(N)Cc2ccc(Cl)s2)O1
InChIInChI=1S/C11H16ClNOS/c1-7-2-4-10(14-7)9(13)6-8-3-5-11(12)15-8/h3,5,7,9-10H,2,4,6,13H2,1H3
InChIKeyQLTZHDWLDIBUQV-UHFFFAOYSA-N
MW245.78 g/mol
LogP2.84
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine

2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine (PubChem CID 115841479) has the molecular formula C11H16ClNOS and a molecular weight of 245.78 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
PubChem CID115841479
Molecular FormulaC11H16ClNOS
Molecular Weight245.78 g/mol
Exact Mass245.06
IUPAC Name2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine
SMILESCC1CCC(C(N)Cc2ccc(Cl)s2)O1
InChIInChI=1S/C11H16ClNOS/c1-7-2-4-10(14-7)9(13)6-8-3-5-11(12)15-8/h3,5,7,9-10H,2,4,6,13H2,1H3
InChIKeyQLTZHDWLDIBUQV-UHFFFAOYSA-N
XLogP2.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-chlorothiophen-2-yl)-N-methyl-1-(5-methyloxolan-2-yl)ethanamine
CID 115841409
2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598
2-(5-chlorothiophen-2-yl)-1-(oxolan-2-yl)ethanamine
CID 65331436
2-(5-chlorothiophen-2-yl)-1-cycloheptylethanamine
CID 65398933
(5-chlorothiophen-2-yl)-(5-methyloxolan-2-yl)methanol
CID 81330692
2-(3-chloro-4-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 103043101
1-(5-methyloxolan-2-yl)-2-(1,2,5-thiadiazol-3-yl)ethanamine
CID 131219612
1-(4-butylcyclohexyl)-2-(5-chlorothiophen-2-yl)ethanamine
CID 115841569
2-(5-bromo-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanamine
CID 115839233
2-(5-chlorothiophen-2-yl)-1-(oxan-3-yl)ethanamine
CID 65331805
1-(5-methyloxolan-2-yl)-2-(5-methyl-2-pyridinyl)ethanamine
CID 81329760
(2-chlorothiophen-3-yl)-(5-methyloxolan-2-yl)methanamine
CID 126985799

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine (CID 115841479) is 2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine is CC1CCC(C(N)Cc2ccc(Cl)s2)O1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine?
The InChIKey is QLTZHDWLDIBUQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNOS/c1-7-2-4-10(14-7)9(13)6-8-3-5-11(12)15-8/h3,5,7,9-10H,2,4,6,13H2,1H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine has a molecular weight of 245.78 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-1-(5-methyloxolan-2-yl)ethanamine is sourced from PubChem (CID 115841479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).