2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one

C15H22N2O3 — CID 43268134

IUPAC2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(OC(C)C(=O)N2CCCC2)c(CN)c1
InChIInChI=1S/C15H22N2O3/c1-11(15(18)17-7-3-4-8-17)20-14-6-5-13(19-2)9-12(14)10-16/h5-6,9,11H,3-4,7-8,10,16H2,1-2H3
InChIKeyFELXHYFOENWVIZ-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.54
Rot. Bonds5

About 2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one

2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 43268134) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID43268134
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCOc1ccc(OC(C)C(=O)N2CCCC2)c(CN)c1
InChIInChI=1S/C15H22N2O3/c1-11(15(18)17-7-3-4-8-17)20-14-6-5-13(19-2)9-12(14)10-16/h5-6,9,11H,3-4,7-8,10,16H2,1-2H3
InChIKeyFELXHYFOENWVIZ-UHFFFAOYSA-N
XLogP1.54
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 63322604
2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one
CID 43324773
2-[4-(aminomethyl)-2-methoxyphenoxy]-1-piperidin-1-ylpropan-1-one
CID 43115873
2-(3-amino-4-methoxyphenoxy)-1-piperidin-1-ylpropan-1-one
CID 103201252
2-[4-(aminomethyl)-2-bromophenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 55147322
2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 54931415
2-[2-(aminomethyl)-4-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43268118
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
2-[4-(aminomethyl)-2-nitrophenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43137723
2-[2-(2-aminoethyl)-4-methoxyphenoxy]propanamide
CID 54931370
2-(2-amino-4-methylphenoxy)-1-pyrrolidin-1-ylpropan-1-one
CID 61313803
2-[[2-(hydroxymethyl)-6-methyl-3-pyridinyl]oxy]-1-pyrrolidin-1-ylpropan-1-one
CID 79169274

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one (CID 43268134) is 2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one is COc1ccc(OC(C)C(=O)N2CCCC2)c(CN)c1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FELXHYFOENWVIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(15(18)17-7-3-4-8-17)20-14-6-5-13(19-2)9-12(14)10-16/h5-6,9,11H,3-4,7-8,10,16H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one?
2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 278.35 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 43268134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).