1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine

C17H21NOS — CID 10708447

IUPAC1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine
SMILESc1cc(Cc2ccc(OCCN3CCCC3)cc2)cs1
InChIInChI=1S/C17H21NOS/c1-2-9-18(8-1)10-11-19-17-5-3-15(4-6-17)13-16-7-12-20-14-16/h3-7,12,14H,1-2,8-11,13H2
InChIKeyKWMQPEMOIAWRBF-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.81
Rot. Bonds6

About 1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine

1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine (PubChem CID 10708447) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine
PubChem CID10708447
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine
SMILESc1cc(Cc2ccc(OCCN3CCCC3)cc2)cs1
InChIInChI=1S/C17H21NOS/c1-2-9-18(8-1)10-11-19-17-5-3-15(4-6-17)13-16-7-12-20-14-16/h3-7,12,14H,1-2,8-11,13H2
InChIKeyKWMQPEMOIAWRBF-UHFFFAOYSA-N
XLogP3.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine (CID 10708447) is 1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine is c1cc(Cc2ccc(OCCN3CCCC3)cc2)cs1.
What is the InChIKey of 1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine?
The InChIKey is KWMQPEMOIAWRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-9-18(8-1)10-11-19-17-5-3-15(4-6-17)13-16-7-12-20-14-16/h3-7,12,14H,1-2,8-11,13H2.
What are the key properties of 1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine?
1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine has a molecular weight of 287.43 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(thiophen-3-ylmethyl)phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 10708447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).