1-[3-(2-ethylphenoxy)propyl]pyrrolidine

C15H23NO — CID 2262767

IUPAC1-[3-(2-ethylphenoxy)propyl]pyrrolidine
SMILESCCc1ccccc1OCCCN1CCCC1
InChIInChI=1S/C15H23NO/c1-2-14-8-3-4-9-15(14)17-13-7-12-16-10-5-6-11-16/h3-4,8-9H,2,5-7,10-13H2,1H3
InChIKeyJQNIYYUOYGSFGJ-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.11
Rot. Bonds6

About 1-[3-(2-ethylphenoxy)propyl]pyrrolidine

1-[3-(2-ethylphenoxy)propyl]pyrrolidine (PubChem CID 2262767) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-[3-(2-ethylphenoxy)propyl]pyrrolidine.

Molecular Properties

Compound Name1-[3-(2-ethylphenoxy)propyl]pyrrolidine
PubChem CID2262767
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-[3-(2-ethylphenoxy)propyl]pyrrolidine
SMILESCCc1ccccc1OCCCN1CCCC1
InChIInChI=1S/C15H23NO/c1-2-14-8-3-4-9-15(14)17-13-7-12-16-10-5-6-11-16/h3-4,8-9H,2,5-7,10-13H2,1H3
InChIKeyJQNIYYUOYGSFGJ-UHFFFAOYSA-N
XLogP3.11
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.11
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

2-[2-(3-pyrrolidin-1-ylpropoxy)phenyl]acetic acid
CID 11108172
1-[3-(2-ethylphenoxy)propyl]piperidin-4-ol
CID 39363366
1-[2-(3-piperidin-1-ylpropoxy)phenyl]propan-2-one
CID 142037946
1-[2-(2-propylphenoxy)ethyl]pyrrolidine
CID 173254301
1-[3-(2-ethylphenoxy)propyl]-3,5-dimethylpiperidine
CID 2934051
1-[2-(2-butylphenoxy)ethyl]piperidine
CID 5129730
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
1-[3-(2-chlorophenoxy)propyl]piperidine
CID 2058914
1-[3-(2-ethylsulfanylphenoxy)propyl]piperidine
CID 100673269
1-[2-(2-octylphenoxy)ethyl]piperidine chloride
CID 21228798
oxalic acid;1-[3-(2-prop-2-enylphenoxy)propyl]azepane
CID 2944028
1-[3-(2-bromophenoxy)propyl]azepane
CID 2195329

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-ethylphenoxy)propyl]pyrrolidine?
The IUPAC name of 1-[3-(2-ethylphenoxy)propyl]pyrrolidine (CID 2262767) is 1-[3-(2-ethylphenoxy)propyl]pyrrolidine.
What is the SMILES notation for 1-[3-(2-ethylphenoxy)propyl]pyrrolidine?
The canonical SMILES for 1-[3-(2-ethylphenoxy)propyl]pyrrolidine is CCc1ccccc1OCCCN1CCCC1.
What is the InChIKey of 1-[3-(2-ethylphenoxy)propyl]pyrrolidine?
The InChIKey is JQNIYYUOYGSFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-2-14-8-3-4-9-15(14)17-13-7-12-16-10-5-6-11-16/h3-4,8-9H,2,5-7,10-13H2,1H3.
What are the key properties of 1-[3-(2-ethylphenoxy)propyl]pyrrolidine?
1-[3-(2-ethylphenoxy)propyl]pyrrolidine has a molecular weight of 233.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-ethylphenoxy)propyl]pyrrolidine is sourced from PubChem (CID 2262767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).