1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone

C14H20N2O2 — CID 81483948

IUPAC1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
SMILESCNCC1CCCN1C(=O)COc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-15-10-12-6-5-9-16(12)14(17)11-18-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3
InChIKeyVQXKMGVESPEGKK-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.28
Rot. Bonds5

About 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone

1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone (PubChem CID 81483948) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
PubChem CID81483948
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
SMILESCNCC1CCCN1C(=O)COc1ccccc1
InChIInChI=1S/C14H20N2O2/c1-15-10-12-6-5-9-16(12)14(17)11-18-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3
InChIKeyVQXKMGVESPEGKK-UHFFFAOYSA-N
XLogP1.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 124569777
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 119648574
2-(4-chlorophenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone;hydrochloride
CID 119650438
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-(4-pyridin-2-yloxyphenoxy)ethanone;dihydrochloride
CID 119648660
2-(2,6-dimethylphenoxy)-1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 124596074
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955
1-[2-(chloromethyl)azepan-1-yl]-2-phenoxyethanone
CID 116639088
1-(2-cyclopropylpyrrolidin-1-yl)-2-phenoxyethanone
CID 110871787
2-(2,4-difluorophenoxy)-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 119649656
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-phenylphenoxy)propan-1-one
CID 119650965
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-(2-phenylphenoxy)propan-1-one;hydrochloride
CID 119650964
2-(2-methoxy-4-methylphenoxy)-1-[(2S)-2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 124684857

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone (CID 81483948) is 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone is CNCC1CCCN1C(=O)COc1ccccc1.
What is the InChIKey of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone?
The InChIKey is VQXKMGVESPEGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-10-12-6-5-9-16(12)14(17)11-18-13-7-3-2-4-8-13/h2-4,7-8,12,15H,5-6,9-11H2,1H3.
What are the key properties of 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone?
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone has a molecular weight of 248.33 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 81483948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).