1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone

C13H18N2O2 — CID 65250241

IUPAC1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN1CC(N)C1
InChIInChI=1S/C13H18N2O2/c1-10(16)12-4-2-3-5-13(12)17-7-6-15-8-11(14)9-15/h2-5,11H,6-9,14H2,1H3
InChIKeyNMUIITPEQXJJLZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.91
Rot. Bonds5

About 1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone

1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone (PubChem CID 65250241) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
PubChem CID65250241
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN1CC(N)C1
InChIInChI=1S/C13H18N2O2/c1-10(16)12-4-2-3-5-13(12)17-7-6-15-8-11(14)9-15/h2-5,11H,6-9,14H2,1H3
InChIKeyNMUIITPEQXJJLZ-UHFFFAOYSA-N
XLogP0.91
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethoxy]phenyl]ethanone
CID 7380447
2-[1-[2-(2-acetylphenoxy)ethyl]azetidin-3-yl]propanoic acid
CID 116683751
1-[2-[2-(4-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 60965814
1-[2-[2-(3-ethylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 43433400
1-[2-[2-(3-propylpyrrolidin-1-yl)ethoxy]phenyl]ethanone
CID 115667557
1-[2-[2-[(3S)-3-methylpiperazin-1-yl]ethoxy]phenyl]ethanone
CID 104976918
1-[2-[2-(4-propylpiperidin-1-yl)ethoxy]phenyl]ethanone
CID 62204691
1-[2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7380391
(3S,4S)-1-[2-(2-acetylphenoxy)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120954142
1-[2-[3-(2,6-dimethylmorpholin-4-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2996173
1-[2-[4-(2,6-dimethylmorpholin-4-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992912
1-[2-(2-acetylphenoxy)ethyl]-3-ethylpiperidin-4-one
CID 114509724

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone (CID 65250241) is 1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCN1CC(N)C1.
What is the InChIKey of 1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone?
The InChIKey is NMUIITPEQXJJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10(16)12-4-2-3-5-13(12)17-7-6-15-8-11(14)9-15/h2-5,11H,6-9,14H2,1H3.
What are the key properties of 1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone?
1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone has a molecular weight of 234.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-aminoazetidin-1-yl)ethoxy]phenyl]ethanone is sourced from PubChem (CID 65250241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).