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

C24H27NO2S — CID 71503018

IUPAC1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine
SMILESCOc1ccccc1C(c1ccc(OCCN2CCCC2)cc1)c1cccs1
InChIInChI=1S/C24H27NO2S/c1-26-22-8-3-2-7-21(22)24(23-9-6-18-28-23)19-10-12-20(13-11-19)27-17-16-25-14-4-5-15-25/h2-3,6-13,18,24H,4-5,14-17H2,1H3
InChIKeyRNKIDRPHPOKQRP-UHFFFAOYSA-N
MW393.55 g/mol
LogP5.41
Rot. Bonds8

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

1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine (PubChem CID 71503018) has the molecular formula C24H27NO2S and a molecular weight of 393.55 g/mol. Its IUPAC name is 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine
PubChem CID71503018
Molecular FormulaC24H27NO2S
Molecular Weight393.55 g/mol
Exact Mass393.18
IUPAC Name1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine
SMILESCOc1ccccc1C(c1ccc(OCCN2CCCC2)cc1)c1cccs1
InChIInChI=1S/C24H27NO2S/c1-26-22-8-3-2-7-21(22)24(23-9-6-18-28-23)19-10-12-20(13-11-19)27-17-16-25-14-4-5-15-25/h2-3,6-13,18,24H,4-5,14-17H2,1H3
InChIKeyRNKIDRPHPOKQRP-UHFFFAOYSA-N
XLogP5.41
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.55
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-Pyrrolidin-1-yl-ethoxy)-benzyl]-2-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-benzo[b]thiophene
CID 1635
(S)-2-((4-(4-(thiophen-3-yl)phenoxy)phenoxy)methyl)piperidine
CID 46888240
1-[2-(4-Thiophen-3-ylmethyl-phenoxy)-ethyl]-pyrrolidine
CID 10708447
{Methyl-[2-(3-thiophen-2-yl-biphenyl-4-yloxy)-ethyl]-amino}-acetic acid
CID 11405950
{Methyl-[2-(3-thiophen-3-yl-biphenyl-4-yloxy)-ethyl]-amino}-acetic acid
CID 44444276
1-[2-[4-[2-(3-Methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine
CID 44202271
2-[4-[2-(3-Methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl-dimethyl-amine
CID 44202272
2-[4-[2-(4-Methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl-dimethyl-amine
CID 44202275
1-[2-(5-Benzyl-thiophen-2-yloxy)-ethyl]-pyrrolidine
CID 10708448
1-[2-(4-Phenylsulfanylmethyl-phenoxy)-ethyl]-pyrrolidine
CID 10829025
Dimethyl-[2-[4-[2-(3-thienyl)benzothiophen-3-yl]phenoxy]ethyl]amine
CID 44202260
1-[2-[4-[5-Methoxy-2-(2-methoxyphenyl)benzothiophen-3-yl]phenoxy]ethyl]pyrrolidine
CID 44202261

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine?
The IUPAC name of 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine (CID 71503018) is 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine?
The canonical SMILES for 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine is COc1ccccc1C(c1ccc(OCCN2CCCC2)cc1)c1cccs1.
What is the InChIKey of 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine?
The InChIKey is RNKIDRPHPOKQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27NO2S/c1-26-22-8-3-2-7-21(22)24(23-9-6-18-28-23)19-10-12-20(13-11-19)27-17-16-25-14-4-5-15-25/h2-3,6-13,18,24H,4-5,14-17H2,1H3.
What are the key properties of 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine?
1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine has a molecular weight of 393.55 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-[(2-methoxyphenyl)-thiophen-2-ylmethyl]phenoxy]ethyl]pyrrolidine is sourced from PubChem (CID 71503018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).