1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine

C15H23NO — CID 869541

IUPAC1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
SMILESCC(C)c1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C15H23NO/c1-13(2)14-6-5-7-15(12-14)17-11-10-16-8-3-4-9-16/h5-7,12-13H,3-4,8-11H2,1-2H3
InChIKeyPCVKRJVYGVSTKV-UHFFFAOYSA-N
MW233.36 g/mol
LogP3.28
Rot. Bonds5

About 1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine

1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine (PubChem CID 869541) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine.

Molecular Properties

Compound Name1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
PubChem CID869541
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine
SMILESCC(C)c1cccc(OCCN2CCCC2)c1
InChIInChI=1S/C15H23NO/c1-13(2)14-6-5-7-15(12-14)17-11-10-16-8-3-4-9-16/h5-7,12-13H,3-4,8-11H2,1-2H3
InChIKeyPCVKRJVYGVSTKV-UHFFFAOYSA-N
XLogP3.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 59135331
(1R)-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanol
CID 78934419
N-methyl-1-[3-(2-pyrrolidin-1-ylethoxy)phenyl]ethanamine
CID 60883623
1-[2-[3,5-di(propan-2-yl)phenoxy]ethyl]piperidine
CID 90706793
1-(oxetan-3-yl)-4-[2-(3-propan-2-ylphenoxy)ethyl]piperazine
CID 176757504
ethane;N-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylaniline;4-[2-(3-propan-2-ylphenoxy)ethyl]morpholine;1-[2-(3-propan-2-ylphenoxy)ethyl]piperidine
CID 167535418
4-[3-(3-propan-2-ylphenoxy)propyl]morpholine
CID 42562888
1-propan-2-yl-3-[3-(3-propan-2-ylphenoxy)propoxy]benzene
CID 2426201
1-[2-(3-methyl-5-propan-2-ylphenoxy)ethyl]piperidine
CID 803139
1-[3-(2-morpholin-4-ylethoxy)phenyl]ethanol
CID 43504270
CID 161147503
CID 161147503
N-[1-[3-(3-pyrrolidin-1-ylpropoxy)phenyl]ethyl]propan-1-amine
CID 61493819

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine?
The IUPAC name of 1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine (CID 869541) is 1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine.
What is the SMILES notation for 1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine?
The canonical SMILES for 1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine is CC(C)c1cccc(OCCN2CCCC2)c1.
What is the InChIKey of 1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine?
The InChIKey is PCVKRJVYGVSTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-13(2)14-6-5-7-15(12-14)17-11-10-16-8-3-4-9-16/h5-7,12-13H,3-4,8-11H2,1-2H3.
What are the key properties of 1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine?
1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine has a molecular weight of 233.36 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-propan-2-ylphenoxy)ethyl]pyrrolidine is sourced from PubChem (CID 869541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).