2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone

C12H15NO2 — CID 115005818

IUPAC2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone
SMILESCNCC(=O)c1ccccc1C1COC1
InChIInChI=1S/C12H15NO2/c1-13-6-12(14)11-5-3-2-4-10(11)9-7-15-8-9/h2-5,9,13H,6-8H2,1H3
InChIKeyRKXVKIMCHXXOMF-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.20
Rot. Bonds4

About 2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone

2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone (PubChem CID 115005818) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone.

Molecular Properties

Compound Name2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone
PubChem CID115005818
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone
SMILESCNCC(=O)c1ccccc1C1COC1
InChIInChI=1S/C12H15NO2/c1-13-6-12(14)11-5-3-2-4-10(11)9-7-15-8-9/h2-5,9,13H,6-8H2,1H3
InChIKeyRKXVKIMCHXXOMF-UHFFFAOYSA-N
XLogP1.20
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(Ethylamino)-2-methoxy-1-phenylethanone
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2-Methoxy-1-phenyl-2-(prop-2-enylamino)ethanone
CID 70440108
2-(Methylamino)-1-[2-(propan-2-yl)phenyl]ethan-1-one
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Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone?
The IUPAC name of 2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone (CID 115005818) is 2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone.
What is the SMILES notation for 2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone?
The canonical SMILES for 2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone is CNCC(=O)c1ccccc1C1COC1.
What is the InChIKey of 2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone?
The InChIKey is RKXVKIMCHXXOMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-13-6-12(14)11-5-3-2-4-10(11)9-7-15-8-9/h2-5,9,13H,6-8H2,1H3.
What are the key properties of 2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone?
2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone has a molecular weight of 205.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-[2-(oxetan-3-yl)phenyl]ethanone is sourced from PubChem (CID 115005818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).