3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine

C16H25NO2 — CID 57419610

IUPAC3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine
SMILESCCOCCCOC(c1ccccc1)C1CCNC1
InChIInChI=1S/C16H25NO2/c1-2-18-11-6-12-19-16(15-9-10-17-13-15)14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13H2,1H3
InChIKeySAJDTGGLZYDBHH-UHFFFAOYSA-N
MW263.38 g/mol
LogP2.78
Rot. Bonds8

About 3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine

3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine (PubChem CID 57419610) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine
PubChem CID57419610
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine
SMILESCCOCCCOC(c1ccccc1)C1CCNC1
InChIInChI=1S/C16H25NO2/c1-2-18-11-6-12-19-16(15-9-10-17-13-15)14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13H2,1H3
InChIKeySAJDTGGLZYDBHH-UHFFFAOYSA-N
XLogP2.78
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 52.78
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

(3R)-3-[3-ethoxypropoxy(phenyl)methyl]piperidine
CID 67190399
(3R)-3-[(R)-3-ethoxypropoxy-(3-fluorophenyl)methyl]piperidine
CID 67192571
3-[(R)-ethoxy(phenyl)methyl]azetidine
CID 71516188
(3R)-3-[2-cyclopropylethoxy(phenyl)methyl]piperidine
CID 67190238
3-[phenyl-[(3S)-pyrrolidin-3-yl]methoxy]-2-propoxypyridine
CID 66753085
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
(3R)-3-[3-ethoxypropoxy-(3-fluorophenyl)methyl]-1-[5-[3-ethoxypropoxy-[(3R)-piperidin-3-yl]methyl]-2-fluorophenyl]piperidine
CID 69468005
2-[(S)-phenyl(pyrrolidin-3-yl)methoxy]pyridine
CID 66752187
3-[4-methoxybutoxy(phenyl)methyl]piperidine;4-methoxy-1-phenyl-1-piperidin-3-ylbutan-1-ol
CID 69470017
[cyclohexyl(propoxy)methyl]benzene
CID 155279791
3-[(R)-3-methoxypropoxy-(2-phenylphenyl)methyl]piperidine
CID 67193405
2-fluoro-3-[phenyl-[(3R)-pyrrolidin-3-yl]methoxy]pyridine
CID 66752141

Frequently Asked Questions

What is the IUPAC name of 3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine?
The IUPAC name of 3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine (CID 57419610) is 3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine is CCOCCCOC(c1ccccc1)C1CCNC1.
What is the InChIKey of 3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine?
The InChIKey is SAJDTGGLZYDBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-18-11-6-12-19-16(15-9-10-17-13-15)14-7-4-3-5-8-14/h3-5,7-8,15-17H,2,6,9-13H2,1H3.
What are the key properties of 3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine?
3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine has a molecular weight of 263.38 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-ethoxypropoxy(phenyl)methyl]pyrrolidine is sourced from PubChem (CID 57419610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).