2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone

C15H22N2O2 — CID 79473851

IUPAC2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone
SMILESNCCOCC(=O)N1CCCC1Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c16-8-10-19-12-15(18)17-9-4-7-14(17)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2
InChIKeyVKGXNONPSYCGJI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.20
Rot. Bonds6

About 2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone

2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone (PubChem CID 79473851) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone
PubChem CID79473851
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone
SMILESNCCOCC(=O)N1CCCC1Cc1ccccc1
InChIInChI=1S/C15H22N2O2/c16-8-10-19-12-15(18)17-9-4-7-14(17)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2
InChIKeyVKGXNONPSYCGJI-UHFFFAOYSA-N
XLogP1.20
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.20
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

7-amino-1-(2-benzylpyrrolidin-1-yl)heptan-1-one
CID 60940295
2-(2-aminoethoxy)-1-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethanone
CID 107217978
1-[(2S)-2-benzylpiperidin-1-yl]-4-(2-methoxyethoxy)butan-1-one
CID 95295343
3-amino-1-[2-[(4-bromophenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 86813580
3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 83623294
2-(1-aminocyclobutyl)-1-(2-benzylpyrrolidin-1-yl)ethanone
CID 79854779
[1-(aminomethyl)cyclopentyl]-(2-benzylpyrrolidin-1-yl)methanone
CID 115434974
2-phenylmethoxy-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 94819194
2-anilino-1-(2-benzylpyrrolidin-1-yl)ethanone;hydrochloride
CID 119701682
methyl 4-[(2R)-2-benzylpiperidin-1-yl]-4-oxobutanoate
CID 95310445
2-(2-phenoxyethoxy)-1-[(2R)-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 94820338
2-amino-1-[2-(2-phenylethyl)pyrrolidin-1-yl]ethanone
CID 83630061

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone?
The IUPAC name of 2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone (CID 79473851) is 2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone.
What is the SMILES notation for 2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone?
The canonical SMILES for 2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone is NCCOCC(=O)N1CCCC1Cc1ccccc1.
What is the InChIKey of 2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone?
The InChIKey is VKGXNONPSYCGJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c16-8-10-19-12-15(18)17-9-4-7-14(17)11-13-5-2-1-3-6-13/h1-3,5-6,14H,4,7-12,16H2.
What are the key properties of 2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone?
2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)-1-(2-benzylpyrrolidin-1-yl)ethanone is sourced from PubChem (CID 79473851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).