3-ethyl-1-(3-phenoxypropyl)pyrrolidine

C15H23NO — CID 126692357

IUPAC3-ethyl-1-(3-phenoxypropyl)pyrrolidine
SMILESCCC1CCN(CCCOc2ccccc2)C1
InChIInChI=1S/C15H23NO/c1-2-14-9-11-16(13-14)10-6-12-17-15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13H2,1H3
InChIKeyFOBCBGVXSBBTNU-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.19
Rot. Bonds6

About 3-ethyl-1-(3-phenoxypropyl)pyrrolidine

3-ethyl-1-(3-phenoxypropyl)pyrrolidine (PubChem CID 126692357) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 3-ethyl-1-(3-phenoxypropyl)pyrrolidine.

Molecular Properties

Compound Name3-ethyl-1-(3-phenoxypropyl)pyrrolidine
PubChem CID126692357
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name3-ethyl-1-(3-phenoxypropyl)pyrrolidine
SMILESCCC1CCN(CCCOc2ccccc2)C1
InChIInChI=1S/C15H23NO/c1-2-14-9-11-16(13-14)10-6-12-17-15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13H2,1H3
InChIKeyFOBCBGVXSBBTNU-UHFFFAOYSA-N
XLogP3.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-1-[2-(2-phenoxyethoxy)ethyl]piperidine
CID 153398685
1-(3-phenoxypropyl)-N-propylpyrrolidin-3-amine
CID 55068553
(3R)-1-(3-phenoxypropyl)piperidin-3-amine
CID 102977310
1-[3-(4-chlorophenoxy)propyl]-4-ethylpiperidine
CID 159435771
N,N-dimethyl-2-[1-(3-phenoxypropyl)piperidin-4-yl]ethanamine
CID 19085410
[4-methyl-1-(3-phenoxypropyl)piperidin-3-yl]methanamine
CID 114876398
1-pentyl-3-[2-[4-(2-phenylethyl)phenoxy]ethyl]pyrrolidine
CID 67834138
1-ethyl-4-(3-phenoxypropyl)piperazine
CID 51072960
3-(3-phenoxypropyl)-3-azabicyclo[3.2.2]nonane
CID 97356188
4-[3-[3-(methoxymethyl)pyrrolidin-1-yl]propoxy]benzoic acid
CID 64582622
(3S,4R)-1-(3-phenoxypropyl)pyrrolidine-3,4-diol
CID 79410528
4-(2-bromoethoxy)-1-(3-phenoxypropyl)piperidine
CID 82702024

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-phenoxypropyl)pyrrolidine?
The IUPAC name of 3-ethyl-1-(3-phenoxypropyl)pyrrolidine (CID 126692357) is 3-ethyl-1-(3-phenoxypropyl)pyrrolidine.
What is the SMILES notation for 3-ethyl-1-(3-phenoxypropyl)pyrrolidine?
The canonical SMILES for 3-ethyl-1-(3-phenoxypropyl)pyrrolidine is CCC1CCN(CCCOc2ccccc2)C1.
What is the InChIKey of 3-ethyl-1-(3-phenoxypropyl)pyrrolidine?
The InChIKey is FOBCBGVXSBBTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-14-9-11-16(13-14)10-6-12-17-15-7-4-3-5-8-15/h3-5,7-8,14H,2,6,9-13H2,1H3.
What are the key properties of 3-ethyl-1-(3-phenoxypropyl)pyrrolidine?
3-ethyl-1-(3-phenoxypropyl)pyrrolidine has a molecular weight of 233.36 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-phenoxypropyl)pyrrolidine is sourced from PubChem (CID 126692357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).