1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

C15H22N2O2 — CID 102783606

IUPAC1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(C)C2CN)cc1
InChIInChI=1S/C15H22N2O2/c1-11-7-8-17(14(11)10-16)15(18)9-12-3-5-13(19-2)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyNSEYFNVMEOVQSR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.43
Rot. Bonds4

About 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone

1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone (PubChem CID 102783606) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
PubChem CID102783606
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(CC(=O)N2CCC(C)C2CN)cc1
InChIInChI=1S/C15H22N2O2/c1-11-7-8-17(14(11)10-16)15(18)9-12-3-5-13(19-2)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3
InChIKeyNSEYFNVMEOVQSR-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(chloromethyl)-3-methylpyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 102786869
1-[2-(bromomethyl)-3-methylpyrrolidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 102787961
2-(4-methoxyphenyl)-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 176781017
[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2-fluoro-4-methoxyphenyl)methanone
CID 102885409
1-[(2R,3R)-3-hydroxy-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 124820529
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,6-difluorophenyl)ethanone
CID 102783559
2-(4-methoxyphenyl)-1-(4-methylpiperidin-1-yl)ethanone
CID 668771
1-[(2S,3S)-3-hydroxy-2-(pyridin-3-ylmethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 97470514
1-[3-(aminomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone;hydrochloride
CID 119483951
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2,4-difluorophenyl)ethanone
CID 102783621
1-[2-(bromomethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 74554965
N-[3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 126777176

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The IUPAC name of 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone (CID 102783606) is 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The canonical SMILES for 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone is COc1ccc(CC(=O)N2CCC(C)C2CN)cc1.
What is the InChIKey of 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
The InChIKey is NSEYFNVMEOVQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-7-8-17(14(11)10-16)15(18)9-12-3-5-13(19-2)6-4-12/h3-6,11,14H,7-10,16H2,1-2H3.
What are the key properties of 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone?
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone has a molecular weight of 262.35 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 102783606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).