2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one

C15H22N2O2 — CID 54931415

IUPAC2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Oc1ccccc1CCN)C(=O)N1CCCC1
InChIInChI=1S/C15H22N2O2/c1-12(15(18)17-10-4-5-11-17)19-14-7-3-2-6-13(14)8-9-16/h2-3,6-7,12H,4-5,8-11,16H2,1H3
InChIKeyBUWOGLHORXHKEP-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.58
Rot. Bonds5

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

2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 54931415) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID54931415
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(Oc1ccccc1CCN)C(=O)N1CCCC1
InChIInChI=1S/C15H22N2O2/c1-12(15(18)17-10-4-5-11-17)19-14-7-3-2-6-13(14)8-9-16/h2-3,6-7,12H,4-5,8-11,16H2,1H3
InChIKeyBUWOGLHORXHKEP-UHFFFAOYSA-N
XLogP1.58
TPSA55.56 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 ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(2-hydroxyethyl)phenoxy]-1-piperidin-1-ylpropan-1-one
CID 107713064
(2S)-1-(azepan-1-yl)-2-(2-methoxyphenoxy)propan-1-one
CID 9173596
2-[2-(aminomethyl)-4-chlorophenoxy]-1-piperidin-1-ylpropan-1-one
CID 43324773
1-[2-(2-ethylphenoxy)propanoyl]piperidine-4-carboxamide
CID 43886059
(2R)-2-(2-bromophenoxy)-1-piperidin-1-ylpropan-1-one
CID 28825799
2-[2-(aminomethyl)-4-methoxyphenoxy]-1-pyrrolidin-1-ylpropan-1-one
CID 43268134
2-[2-(aminomethyl)-4-methylphenoxy]-1-piperidin-1-ylpropan-1-one
CID 63322604
2-[4-(2-aminoethyl)-2-bromophenoxy]-1-piperidin-1-ylpropan-1-one
CID 63052674
1-(azepan-1-yl)-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propan-1-one
CID 63364988
2-[2-[(1S)-1-hydroxyethyl]phenoxy]-1-piperidin-1-ylpropan-1-one
CID 78931197
2-(2-methoxyphenoxy)-1-[4-[2-(2-methoxyphenoxy)propanoyl]-1,4-diazepan-1-yl]propan-1-one
CID 4981257
2-[2-(2-aminoethyl)phenoxy]-1-piperidin-1-ylethanone
CID 54931191

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one (CID 54931415) is 2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one is CC(Oc1ccccc1CCN)C(=O)N1CCCC1.
What is the InChIKey of 2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is BUWOGLHORXHKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-12(15(18)17-10-4-5-11-17)19-14-7-3-2-6-13(14)8-9-16/h2-3,6-7,12H,4-5,8-11,16H2,1H3.
What are the key properties of 2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one?
2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 262.35 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)phenoxy]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 54931415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).