1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone

C12H15NO3 — CID 160658832

IUPAC1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(OCCN)cc(C(C)=O)c1
InChIInChI=1S/C12H15NO3/c1-8(14)10-5-11(9(2)15)7-12(6-10)16-4-3-13/h5-7H,3-4,13H2,1-2H3
InChIKeyPMCIQOMYOUCBRY-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.43
Rot. Bonds5

About 1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone

1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone (PubChem CID 160658832) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone
PubChem CID160658832
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone
SMILESCC(=O)c1cc(OCCN)cc(C(C)=O)c1
InChIInChI=1S/C12H15NO3/c1-8(14)10-5-11(9(2)15)7-12(6-10)16-4-3-13/h5-7H,3-4,13H2,1-2H3
InChIKeyPMCIQOMYOUCBRY-UHFFFAOYSA-N
XLogP1.43
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 176917432
1-[6-acetyl-4-(2-aminoethoxy)-2-pyridinyl]ethanone
CID 101024383
1-[3,5-bis(3-hydroxypropoxy)phenyl]ethanone
CID 118893996
1-[3-amino-5-(2-methoxyethoxy)phenyl]ethanone
CID 88985945
1-[3,5-di(pentadecoxy)phenyl]ethanone
CID 70379796
1-[3-(3-aminopropoxy)phenyl]ethanone
CID 82146512
2-[3-(2-aminoethoxy)-5-propanoylphenoxy]ethylazanium
CID 163457922
1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane
CID 142513776
methyl 4-(2-aminoethoxy)-2,6-difluorobenzoate;hydrochloride
CID 69214837
1-[3-methoxy-5-(methoxymethoxy)phenyl]ethanone
CID 23439770
dimethyl 5-[2-[2-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene-1,3-dicarboxylate
CID 57387038
1-[3-butoxy-5-(2-phenylethyl)phenyl]ethanone
CID 122643065

Frequently Asked Questions

What is the IUPAC name of 1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone?
The IUPAC name of 1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone (CID 160658832) is 1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone?
The canonical SMILES for 1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone is CC(=O)c1cc(OCCN)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone?
The InChIKey is PMCIQOMYOUCBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-8(14)10-5-11(9(2)15)7-12(6-10)16-4-3-13/h5-7H,3-4,13H2,1-2H3.
What are the key properties of 1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone?
1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone has a molecular weight of 221.26 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone is sourced from PubChem (CID 160658832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).