1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine

C19H25NOS — CID 51119626

IUPAC1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine
SMILESc1ccc(CCOCCCN2CCCC2c2ccsc2)cc1
InChIInChI=1S/C19H25NOS/c1-2-6-17(7-3-1)9-14-21-13-5-12-20-11-4-8-19(20)18-10-15-22-16-18/h1-3,6-7,10,15-16,19H,4-5,8-9,11-14H2
InChIKeyGHQDUPVUXVQIIF-UHFFFAOYSA-N
MW315.48 g/mol
LogP4.53
Rot. Bonds8

About 1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine

1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine (PubChem CID 51119626) has the molecular formula C19H25NOS and a molecular weight of 315.48 g/mol. Its IUPAC name is 1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine.

Molecular Properties

Compound Name1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine
PubChem CID51119626
Molecular FormulaC19H25NOS
Molecular Weight315.48 g/mol
Exact Mass315.17
IUPAC Name1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine
SMILESc1ccc(CCOCCCN2CCCC2c2ccsc2)cc1
InChIInChI=1S/C19H25NOS/c1-2-6-17(7-3-1)9-14-21-13-5-12-20-11-4-8-19(20)18-10-15-22-16-18/h1-3,6-7,10,15-16,19H,4-5,8-9,11-14H2
InChIKeyGHQDUPVUXVQIIF-UHFFFAOYSA-N
XLogP4.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.48
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R)-1-benzyl-2-thiophen-3-ylpiperidine
CID 124500980
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694
2-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 47035108
1-[2-(2-thiophen-3-ylpyrrolidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 47053590
(2R)-1-(cyclohexylmethyl)-2-thiophen-3-ylpyrrolidine
CID 51946772
1-(3-phenoxypropyl)-2-thiophen-2-ylpyrrolidine
CID 166193735
3-[1-(2-phenylethyl)pyrrolidin-2-yl]pyridine
CID 91294184
3,4-dimethyl-5-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]-1,2,4-triazole
CID 94138790
N-phenyl-4-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]benzamide
CID 55703679
2-[[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]methyl]quinazolin-4-amine
CID 94032734
5,5-dimethyl-3-[2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]ethyl]imidazolidine-2,4-dione
CID 94178433
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine?
The IUPAC name of 1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine (CID 51119626) is 1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine.
What is the SMILES notation for 1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine?
The canonical SMILES for 1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine is c1ccc(CCOCCCN2CCCC2c2ccsc2)cc1.
What is the InChIKey of 1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine?
The InChIKey is GHQDUPVUXVQIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NOS/c1-2-6-17(7-3-1)9-14-21-13-5-12-20-11-4-8-19(20)18-10-15-22-16-18/h1-3,6-7,10,15-16,19H,4-5,8-9,11-14H2.
What are the key properties of 1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine?
1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine has a molecular weight of 315.48 g/mol, XLogP of 4.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-phenylethoxy)propyl]-2-thiophen-3-ylpyrrolidine is sourced from PubChem (CID 51119626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).