1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone

C15H21NO2 — CID 79168162

IUPAC1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCCC2CCCN2C)c1
InChIInChI=1S/C15H21NO2/c1-12(17)13-5-3-7-15(11-13)18-10-8-14-6-4-9-16(14)2/h3,5,7,11,14H,4,6,8-10H2,1-2H3
InChIKeyJOXSXJQFMWPVMN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.75
Rot. Bonds5

About 1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone

1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone (PubChem CID 79168162) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
PubChem CID79168162
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCCC2CCCN2C)c1
InChIInChI=1S/C15H21NO2/c1-12(17)13-5-3-7-15(11-13)18-10-8-14-6-4-9-16(14)2/h3,5,7,11,14H,4,6,8-10H2,1-2H3
InChIKeyJOXSXJQFMWPVMN-UHFFFAOYSA-N
XLogP2.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoic acid
CID 102823660
1-[4-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 61100979
3-[2-(1-methylpiperidin-2-yl)ethoxy]benzenecarboximidamide
CID 107912530
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
1-[3-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2994155
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830
(1R)-1-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]ethanol
CID 107912832
1-methyl-2-(2-phenoxyethyl)piperidine
CID 23339547
1-[3-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394006
[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]methanamine
CID 106485036
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
CID 107913344
3-[3-[2-(1-methylpiperidin-2-yl)ethoxy]phenyl]prop-2-yn-1-ol
CID 107913130

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone (CID 79168162) is 1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone is CC(=O)c1cccc(OCCC2CCCN2C)c1.
What is the InChIKey of 1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone?
The InChIKey is JOXSXJQFMWPVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-12(17)13-5-3-7-15(11-13)18-10-8-14-6-4-9-16(14)2/h3,5,7,11,14H,4,6,8-10H2,1-2H3.
What are the key properties of 1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone?
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 79168162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).