1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone

C12H16N2O2 — CID 61026928

IUPAC1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone
SMILESCNc1ccc(OCC(=O)N2CCC2)cc1
InChIInChI=1S/C12H16N2O2/c1-13-10-3-5-11(6-4-10)16-9-12(15)14-7-2-8-14/h3-6,13H,2,7-9H2,1H3
InChIKeyCUZFTVAOWXGZDQ-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.34
Rot. Bonds4

About 1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone

1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone (PubChem CID 61026928) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone.

Molecular Properties

Compound Name1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone
PubChem CID61026928
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone
SMILESCNc1ccc(OCC(=O)N2CCC2)cc1
InChIInChI=1S/C12H16N2O2/c1-13-10-3-5-11(6-4-10)16-9-12(15)14-7-2-8-14/h3-6,13H,2,7-9H2,1H3
InChIKeyCUZFTVAOWXGZDQ-UHFFFAOYSA-N
XLogP1.34
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(methylamino)phenoxy]-1-piperidin-1-ylethanone
CID 54908646
2-[4-(methylamino)phenoxy]-1-(4-methylpiperazin-1-yl)ethanone
CID 54909269
methyl 4-[2-(azetidin-1-yl)-2-oxoethoxy]benzoate
CID 60743515
1-(azetidin-1-yl)-2-(4-fluorophenoxy)ethanone
CID 154828949
2-[4-[4-(2-oxo-2-pyrrolidin-1-ylethoxy)phenoxy]phenoxy]-1-pyrrolidin-1-ylethanone
CID 178065020
2-(4-bromophenoxy)-1-[4-[2-(4-bromophenoxy)acetyl]-1,4-diazepan-1-yl]ethanone
CID 4961230
1-(azetidin-1-yl)-2-(4-phenoxyphenoxy)ethanone
CID 47018240
1-[4-[2-(4-methylphenoxy)acetyl]-1,4-diazepan-1-yl]propan-1-one
CID 110796458
2-[4-(hydroxymethyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 28561501
1-piperidin-1-yl-2-(4-propoxyphenoxy)ethanone
CID 4732677
2-(4-tert-butylphenoxy)-1-piperidin-1-ylethanone
CID 19169351
1-[4-[2-(4-chlorophenoxy)acetyl]-1,4-diazepan-1-yl]-2-methoxyethanone
CID 108547312

Frequently Asked Questions

What is the IUPAC name of 1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone?
The IUPAC name of 1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone (CID 61026928) is 1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone.
What is the SMILES notation for 1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone?
The canonical SMILES for 1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone is CNc1ccc(OCC(=O)N2CCC2)cc1.
What is the InChIKey of 1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone?
The InChIKey is CUZFTVAOWXGZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-13-10-3-5-11(6-4-10)16-9-12(15)14-7-2-8-14/h3-6,13H,2,7-9H2,1H3.
What are the key properties of 1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone?
1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone has a molecular weight of 220.27 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azetidin-1-yl)-2-[4-(methylamino)phenoxy]ethanone is sourced from PubChem (CID 61026928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).