2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine

C14H22ClNOS — CID 80685083

IUPAC2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)s1)C1(C)CCCCO1
InChIInChI=1S/C14H22ClNOS/c1-3-16-12(10-11-6-7-13(15)18-11)14(2)8-4-5-9-17-14/h6-7,12,16H,3-5,8-10H2,1-2H3
InChIKeyPBAYQWDELOMOFS-UHFFFAOYSA-N
MW287.86 g/mol
LogP3.88
Rot. Bonds5

About 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine

2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine (PubChem CID 80685083) has the molecular formula C14H22ClNOS and a molecular weight of 287.86 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
PubChem CID80685083
Molecular FormulaC14H22ClNOS
Molecular Weight287.86 g/mol
Exact Mass287.11
IUPAC Name2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine
SMILESCCNC(Cc1ccc(Cl)s1)C1(C)CCCCO1
InChIInChI=1S/C14H22ClNOS/c1-3-16-12(10-11-6-7-13(15)18-11)14(2)8-4-5-9-17-14/h6-7,12,16H,3-5,8-10H2,1-2H3
InChIKeyPBAYQWDELOMOFS-UHFFFAOYSA-N
XLogP3.88
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.86
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine (CID 80685083) is 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine is CCNC(Cc1ccc(Cl)s1)C1(C)CCCCO1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine?
The InChIKey is PBAYQWDELOMOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNOS/c1-3-16-12(10-11-6-7-13(15)18-11)14(2)8-4-5-9-17-14/h6-7,12,16H,3-5,8-10H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine?
2-(5-chlorothiophen-2-yl)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine has a molecular weight of 287.86 g/mol, XLogP of 3.88, 5 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)-N-ethyl-1-(2-methyloxan-2-yl)ethanamine is sourced from PubChem (CID 80685083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).