1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine

C17H21NOS — CID 10708448

IUPAC1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine
SMILESc1ccc(Cc2ccc(OCCN3CCCC3)s2)cc1
InChIInChI=1S/C17H21NOS/c1-2-6-15(7-3-1)14-16-8-9-17(20-16)19-13-12-18-10-4-5-11-18/h1-3,6-9H,4-5,10-14H2
InChIKeyFKBIPEOJXNARMX-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.81
Rot. Bonds6

About 1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine

1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine (PubChem CID 10708448) has the molecular formula C17H21NOS and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine
PubChem CID10708448
Molecular FormulaC17H21NOS
Molecular Weight287.43 g/mol
Exact Mass287.13
IUPAC Name1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine
SMILESc1ccc(Cc2ccc(OCCN3CCCC3)s2)cc1
InChIInChI=1S/C17H21NOS/c1-2-6-15(7-3-1)14-16-8-9-17(20-16)19-13-12-18-10-4-5-11-18/h1-3,6-9H,4-5,10-14H2
InChIKeyFKBIPEOJXNARMX-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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Related Compounds

1-[2-(4-Thiophen-3-ylmethyl-phenoxy)-ethyl]-pyrrolidine
CID 10708447
1-[2-(4-Phenylsulfanylmethyl-phenoxy)-ethyl]-pyrrolidine
CID 10829025
1-[2-(4-Benzylsulfanyl-phenoxy)-ethyl]-pyrrolidine
CID 10829026
Dimethyl-{2-[4-(4-thiophen-2-yl-2,3-dihydrobenzo[b]oxepin-5-yl)-phenoxy]-ethyl}-amine
CID 44590138
1-[3-(4-Thiophen-2-ylphenoxy)propyl]piperidine
CID 56668427
1-[2-[4-[2-(4-Methoxyphenyl)-1-benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine
CID 91970625
1-[2-[4-(2-Phenylbenzothiophen-3-yl)phenoxy]ethyl]pyrrolidine
CID 44202267
2-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]-N,N-dimethylethanamine
CID 44456041
N,N-dimethyl-2-[4-[[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-benzothiophen-3-yl]methyl]phenoxy]ethanamine
CID 10673017
N,N-diethyl-2-[4-[(4-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine
CID 44456037
N,N-diethyl-2-[4-[(3-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine
CID 24936092
N,N-diethyl-2-[4-[(4-methylsulfanylphenyl)-thiophen-2-ylmethyl]phenoxy]ethanamine
CID 24936093

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine?
The IUPAC name of 1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine (CID 10708448) is 1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine?
The canonical SMILES for 1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine is c1ccc(Cc2ccc(OCCN3CCCC3)s2)cc1.
What is the InChIKey of 1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine?
The InChIKey is FKBIPEOJXNARMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NOS/c1-2-6-15(7-3-1)14-16-8-9-17(20-16)19-13-12-18-10-4-5-11-18/h1-3,6-9H,4-5,10-14H2.
What are the key properties of 1-[2-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine?
1-[2-(5-benzylthiophen-2-yl)oxyethyl]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-(5-benzylthiophen-2-yl)oxyethyl]pyrrolidine is sourced from PubChem (CID 10708448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).