2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone

C12H16N2O — CID 83832576

IUPAC2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone
SMILESCN1CC(c2ccccc2C(=O)CN)C1
InChIInChI=1S/C12H16N2O/c1-14-7-9(8-14)10-4-2-3-5-11(10)12(15)6-13/h2-5,9H,6-8,13H2,1H3
InChIKeyALYCYMFGPYPRGI-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.86
Rot. Bonds3

About 2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone

2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone (PubChem CID 83832576) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone
PubChem CID83832576
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone
SMILESCN1CC(c2ccccc2C(=O)CN)C1
InChIInChI=1S/C12H16N2O/c1-14-7-9(8-14)10-4-2-3-5-11(10)12(15)6-13/h2-5,9H,6-8,13H2,1H3
InChIKeyALYCYMFGPYPRGI-UHFFFAOYSA-N
XLogP0.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone?
The IUPAC name of 2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone (CID 83832576) is 2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone.
What is the SMILES notation for 2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone?
The canonical SMILES for 2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone is CN1CC(c2ccccc2C(=O)CN)C1.
What is the InChIKey of 2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone?
The InChIKey is ALYCYMFGPYPRGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-7-9(8-14)10-4-2-3-5-11(10)12(15)6-13/h2-5,9H,6-8,13H2,1H3.
What are the key properties of 2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone?
2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone has a molecular weight of 204.27 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(1-methylazetidin-3-yl)phenyl]ethanone is sourced from PubChem (CID 83832576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).