1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone

C15H22N2O2 — CID 115270557

IUPAC1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC1(C)CN
InChIInChI=1S/C15H22N2O2/c1-15(11-16)8-5-9-17(15)14(18)10-12-6-3-4-7-13(12)19-2/h3-4,6-7H,5,8-11,16H2,1-2H3
InChIKeyIIPWSPCAYMJLJC-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.58
Rot. Bonds4

About 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone

1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone (PubChem CID 115270557) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
PubChem CID115270557
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
SMILESCOc1ccccc1CC(=O)N1CCCC1(C)CN
InChIInChI=1S/C15H22N2O2/c1-15(11-16)8-5-9-17(15)14(18)10-12-6-3-4-7-13(12)19-2/h3-4,6-7H,5,8-11,16H2,1-2H3
InChIKeyIIPWSPCAYMJLJC-UHFFFAOYSA-N
XLogP1.58
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(2-fluorophenyl)propan-1-one
CID 115270582
1-(3-hydroxy-2,2-dimethylpyrrolidin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 112533207
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone;hydrochloride
CID 119630835
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
1-(4-hydroxy-4-methyl-2,3-dihydroquinolin-1-yl)-2-(2-methoxyphenyl)ethanone
CID 110709639
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(dimethylamino)ethanone
CID 165469087
2-(2-methoxyphenyl)-1-(4-methylpiperazin-4-ium-1-yl)ethanone
CID 4739078
1-[(4S)-4-hydroxy-4-(methoxymethyl)-3,3-dimethylpiperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 72903184
1-[3-(2-aminoethyl)piperidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 63765744
1-[(3R)-3-aminopyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone
CID 81469940
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-3-(3-methylthiophen-2-yl)propan-1-one
CID 115270597
methyl (2R)-1-[2-(2-methoxyphenyl)acetyl]piperidine-2-carboxylate
CID 79835759

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone (CID 115270557) is 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone is COc1ccccc1CC(=O)N1CCCC1(C)CN.
What is the InChIKey of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
The InChIKey is IIPWSPCAYMJLJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-15(11-16)8-5-9-17(15)14(18)10-12-6-3-4-7-13(12)19-2/h3-4,6-7H,5,8-11,16H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone?
1-[2-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone has a molecular weight of 262.35 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-(aminomethyl)-2-methylpyrrolidin-1-yl]-2-(2-methoxyphenyl)ethanone is sourced from PubChem (CID 115270557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).