2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one

C15H22N2O2 — CID 43276881

IUPAC2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCNCc1ccc(OC(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12(15(18)17-9-3-4-10-17)19-14-7-5-13(6-8-14)11-16-2/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyGBHBZSJQZRHFFT-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.80
Rot. Bonds5

About 2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one

2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43276881) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43276881
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCNCc1ccc(OC(C)C(=O)N2CCCC2)cc1
InChIInChI=1S/C15H22N2O2/c1-12(15(18)17-9-3-4-10-17)19-14-7-5-13(6-8-14)11-16-2/h5-8,12,16H,3-4,9-11H2,1-2H3
InChIKeyGBHBZSJQZRHFFT-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylphenoxy)-1-[4-[2-(4-ethylphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981285
2-[4-(3-hydroxybutyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43504093
2-[4-(2-aminopropyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 60906848
2-(4-hydroxyphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 43143333
(2S)-2-(4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 94299244
2-[2-fluoro-4-(methylaminomethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 107686495
(2R)-2-(4-propan-2-ylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 95358331
methyl 4-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)oxybenzoate
CID 60627945
2-(4-hydroxyphenoxy)-1-[4-[2-(4-hydroxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 108545473
(2R)-2-[4-(4-bromophenyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 8587224
1-(azepan-1-yl)-2-(4-methylsulfanylphenoxy)propan-1-one
CID 86909547
methyl N-[4-[1-(azepan-1-yl)-1-oxopropan-2-yl]oxyphenyl]carbamate
CID 60522624

Frequently Asked Questions

What is the IUPAC name of 2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one (CID 43276881) is 2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one is CNCc1ccc(OC(C)C(=O)N2CCCC2)cc1.
What is the InChIKey of 2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is GBHBZSJQZRHFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(15(18)17-9-3-4-10-17)19-14-7-5-13(6-8-14)11-16-2/h5-8,12,16H,3-4,9-11H2,1-2H3.
What are the key properties of 2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(methylaminomethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43276881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).