2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone

C11H14N2O2 — CID 170861053

IUPAC2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone
SMILESNCC(=O)c1ccc(OC2CNC2)cc1
InChIInChI=1S/C11H14N2O2/c12-5-11(14)8-1-3-9(4-2-8)15-10-6-13-7-10/h1-4,10,13H,5-7,12H2
InChIKeyHCCXYVGOXPJHRA-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.18
Rot. Bonds4

About 2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone

2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone (PubChem CID 170861053) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone
PubChem CID170861053
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone
SMILESNCC(=O)c1ccc(OC2CNC2)cc1
InChIInChI=1S/C11H14N2O2/c12-5-11(14)8-1-3-9(4-2-8)15-10-6-13-7-10/h1-4,10,13H,5-7,12H2
InChIKeyHCCXYVGOXPJHRA-UHFFFAOYSA-N
XLogP0.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone?
The IUPAC name of 2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone (CID 170861053) is 2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone is NCC(=O)c1ccc(OC2CNC2)cc1.
What is the InChIKey of 2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone?
The InChIKey is HCCXYVGOXPJHRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-5-11(14)8-1-3-9(4-2-8)15-10-6-13-7-10/h1-4,10,13H,5-7,12H2.
What are the key properties of 2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone?
2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone has a molecular weight of 206.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(azetidin-3-yloxy)phenyl]ethanone is sourced from PubChem (CID 170861053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).