1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone

C14H19NO2 — CID 123996078

IUPAC1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(NC2CCOCC2)c1C
InChIInChI=1S/C14H19NO2/c1-10-13(11(2)16)4-3-5-14(10)15-12-6-8-17-9-7-12/h3-5,12,15H,6-9H2,1-2H3
InChIKeyZUURKDLELOTEBC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.79
Rot. Bonds3

About 1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone

1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone (PubChem CID 123996078) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone
PubChem CID123996078
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone
SMILESCC(=O)c1cccc(NC2CCOCC2)c1C
InChIInChI=1S/C14H19NO2/c1-10-13(11(2)16)4-3-5-14(10)15-12-6-8-17-9-7-12/h3-5,12,15H,6-9H2,1-2H3
InChIKeyZUURKDLELOTEBC-UHFFFAOYSA-N
XLogP2.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone?
The IUPAC name of 1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone (CID 123996078) is 1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone.
What is the SMILES notation for 1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone?
The canonical SMILES for 1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone is CC(=O)c1cccc(NC2CCOCC2)c1C.
What is the InChIKey of 1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone?
The InChIKey is ZUURKDLELOTEBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-10-13(11(2)16)4-3-5-14(10)15-12-6-8-17-9-7-12/h3-5,12,15H,6-9H2,1-2H3.
What are the key properties of 1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone?
1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone has a molecular weight of 233.31 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-3-(oxan-4-ylamino)phenyl]ethanone is sourced from PubChem (CID 123996078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).