2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine

C16H25NO2 — CID 104660354

IUPAC2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine
SMILESCCCC1(c2ccccc2OCCOC)CCCN1
InChIInChI=1S/C16H25NO2/c1-3-9-16(10-6-11-17-16)14-7-4-5-8-15(14)19-13-12-18-2/h4-5,7-8,17H,3,6,9-13H2,1-2H3
InChIKeyAEITXPZNAVXATJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.09
Rot. Bonds7

About 2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine

2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine (PubChem CID 104660354) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine
PubChem CID104660354
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine
SMILESCCCC1(c2ccccc2OCCOC)CCCN1
InChIInChI=1S/C16H25NO2/c1-3-9-16(10-6-11-17-16)14-7-4-5-8-15(14)19-13-12-18-2/h4-5,7-8,17H,3,6,9-13H2,1-2H3
InChIKeyAEITXPZNAVXATJ-UHFFFAOYSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyphenyl)-2-propylazetidine
CID 115058535
2-(2-fluorophenyl)-2-propylpyrrolidine
CID 66468299
2-(2,4-dimethoxyphenyl)-2-propylpyrrolidine
CID 66465346
[2-(2-methoxyphenyl)pyrrolidin-2-yl]methanol
CID 115103415
3-[2-(2-methoxyethoxy)phenyl]pyrrolidin-3-ol
CID 113438129
2-(2-methoxy-3,4-dimethylphenyl)-2-propylpyrrolidine
CID 103433655
2-(2,3-dimethylphenyl)-2-propylazepane
CID 79117434
3-(2-propylazepan-2-yl)pyridin-2-amine
CID 79117624
2-phenyl-2-propylazepane
CID 79117631
2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine
CID 66465348
2-(2-chlorophenyl)-2-(methoxymethyl)pyrrolidine
CID 117271928
2-(2,4-dimethylphenyl)-2-propylpyrrolidine
CID 66466694

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine?
The IUPAC name of 2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine (CID 104660354) is 2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine?
The canonical SMILES for 2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine is CCCC1(c2ccccc2OCCOC)CCCN1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine?
The InChIKey is AEITXPZNAVXATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-3-9-16(10-6-11-17-16)14-7-4-5-8-15(14)19-13-12-18-2/h4-5,7-8,17H,3,6,9-13H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine?
2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)phenyl]-2-propylpyrrolidine is sourced from PubChem (CID 104660354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).