2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone

C14H20N2O2 — CID 61103114

IUPAC2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone
SMILESCCC1CCCN1C(=O)COc1cccc(N)c1
InChIInChI=1S/C14H20N2O2/c1-2-12-6-4-8-16(12)14(17)10-18-13-7-3-5-11(15)9-13/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3
InChIKeyIXZHMJGNKFPYFG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.05
Rot. Bonds4

About 2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone

2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone (PubChem CID 61103114) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone
PubChem CID61103114
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone
SMILESCCC1CCCN1C(=O)COc1cccc(N)c1
InChIInChI=1S/C14H20N2O2/c1-2-12-6-4-8-16(12)14(17)10-18-13-7-3-5-11(15)9-13/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3
InChIKeyIXZHMJGNKFPYFG-UHFFFAOYSA-N
XLogP2.05
TPSA55.56 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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]ethanone
CID 62886053
2-(3-aminophenoxy)-1-(2,3-dimethylpiperidin-1-yl)ethanone
CID 62123166
2-[4-(aminomethyl)phenoxy]-1-(2-ethylazepan-1-yl)ethanone
CID 104688680
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(3-propan-2-ylphenoxy)ethanone;hydrochloride
CID 119634469
2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 62498346
1-(2-ethylpiperidin-1-yl)-2-(4-methoxyphenoxy)ethanone
CID 78762202
(E)-3-(3-aminophenyl)-1-(2-ethylpyrrolidin-1-yl)prop-2-en-1-one
CID 113290869
4-[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethoxy]benzamide
CID 7931483
2-(3-fluorophenoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 66260737
2-(3-aminophenoxy)-N-[(1-ethylpyrrolidin-2-yl)methyl]acetamide
CID 61090043
2-(3-aminophenyl)sulfanyl-1-(2-ethylpiperidin-1-yl)ethanone
CID 18894939

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone (CID 61103114) is 2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone is CCC1CCCN1C(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone?
The InChIKey is IXZHMJGNKFPYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-12-6-4-8-16(12)14(17)10-18-13-7-3-5-11(15)9-13/h3,5,7,9,12H,2,4,6,8,10,15H2,1H3.
What are the key properties of 2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone?
2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone has a molecular weight of 248.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-1-(2-ethylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 61103114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).