1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone

C14H20N2O2 — CID 83625391

IUPAC1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC1c1ccccc1OC
InChIInChI=1S/C14H20N2O2/c1-15-10-14(17)16-9-5-7-12(16)11-6-3-4-8-13(11)18-2/h3-4,6,8,12,15H,5,7,9-10H2,1-2H3
InChIKeyKUYKJNOAXQFBFT-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.58
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone

1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone (PubChem CID 83625391) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
PubChem CID83625391
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
SMILESCNCC(=O)N1CCCC1c1ccccc1OC
InChIInChI=1S/C14H20N2O2/c1-15-10-14(17)16-9-5-7-12(16)11-6-3-4-8-13(11)18-2/h3-4,6,8,12,15H,5,7,9-10H2,1-2H3
InChIKeyKUYKJNOAXQFBFT-UHFFFAOYSA-N
XLogP1.58
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 176997579
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-methyl-3-(methylamino)propan-1-one;hydrochloride
CID 119771470
4-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]pentan-1-one
CID 120562159
1-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 72837856
3-amino-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 119951145
N-[2-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 86885892
1-[(2S)-2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 125156811
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(5-methyltetrazol-1-yl)propan-1-one
CID 118763003
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-3-(4-methyl-1,2,4-triazol-3-yl)propan-1-one
CID 118763073
[4-(aminomethyl)phenyl]-[2-(2-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 119316524
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 118787227
(2,6-dimethoxyphenyl)-[(2S)-2-(2-methylphenyl)pyrrolidin-1-yl]methanone
CID 95053428

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone?
The IUPAC name of 1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone (CID 83625391) is 1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone?
The canonical SMILES for 1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone is CNCC(=O)N1CCCC1c1ccccc1OC.
What is the InChIKey of 1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone?
The InChIKey is KUYKJNOAXQFBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-15-10-14(17)16-9-5-7-12(16)11-6-3-4-8-13(11)18-2/h3-4,6,8,12,15H,5,7,9-10H2,1-2H3.
What are the key properties of 1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone?
1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone has a molecular weight of 248.33 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone is sourced from PubChem (CID 83625391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).