1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone

C20H24N2O2 — CID 124611231

IUPAC1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone
SMILESNC[C@H]1CCN(C(=O)COc2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C20H24N2O2/c21-13-17-10-11-22(14-17)20(23)15-24-19-9-5-4-8-18(19)12-16-6-2-1-3-7-16/h1-9,17H,10-15,21H2/t17-/m1/s1
InChIKeyOGEDSRNYVBSOKB-QGZVFWFLSA-N
MW324.42 g/mol
LogP2.46
Rot. Bonds6

About 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone

1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone (PubChem CID 124611231) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone
PubChem CID124611231
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone
SMILESNC[C@H]1CCN(C(=O)COc2ccccc2Cc2ccccc2)C1
InChIInChI=1S/C20H24N2O2/c21-13-17-10-11-22(14-17)20(23)15-24-19-9-5-4-8-18(19)12-16-6-2-1-3-7-16/h1-9,17H,10-15,21H2/t17-/m1/s1
InChIKeyOGEDSRNYVBSOKB-QGZVFWFLSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 124611644
2-(2-benzylphenoxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 110878366
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 62069426
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-[2-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 124611313
2-(2-benzylphenoxy)-1-pyrrolidin-1-ylethanone
CID 78760780
methyl 1-[2-(2-benzylphenoxy)acetyl]piperidine-4-carboxylate
CID 8922558
1-(4-acetylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 78767258
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-butan-2-ylphenoxy)ethanone
CID 122147702
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(2-phenylethoxy)ethanone;hydrochloride
CID 119486723
2-(2-benzylphenoxy)-1-(4-methylidenepiperidin-1-yl)ethanone
CID 56570370
1-(4-benzoylpiperazin-1-yl)-2-(2-benzylphenoxy)ethanone
CID 7936761
1-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-chloro-4-phenylphenoxy)ethanone
CID 124611392

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone?
The IUPAC name of 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone (CID 124611231) is 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone.
What is the SMILES notation for 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone?
The canonical SMILES for 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone is NC[C@H]1CCN(C(=O)COc2ccccc2Cc2ccccc2)C1.
What is the InChIKey of 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone?
The InChIKey is OGEDSRNYVBSOKB-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H24N2O2/c21-13-17-10-11-22(14-17)20(23)15-24-19-9-5-4-8-18(19)12-16-6-2-1-3-7-16/h1-9,17H,10-15,21H2/t17-/m1/s1.
What are the key properties of 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone?
1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone has a molecular weight of 324.42 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(aminomethyl)pyrrolidin-1-yl]-2-(2-benzylphenoxy)ethanone is sourced from PubChem (CID 124611231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).