1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone

C13H17NO2 — CID 178000632

IUPAC1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone
SMILESCCN(C)c1cccc(C(C)=O)c1C(C)=O
InChIInChI=1S/C13H17NO2/c1-5-14(4)12-8-6-7-11(9(2)15)13(12)10(3)16/h6-8H,5H2,1-4H3
InChIKeyPVZAWNAFVQWXIK-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.55
Rot. Bonds4

About 1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone

1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone (PubChem CID 178000632) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone
PubChem CID178000632
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone
SMILESCCN(C)c1cccc(C(C)=O)c1C(C)=O
InChIInChI=1S/C13H17NO2/c1-5-14(4)12-8-6-7-11(9(2)15)13(12)10(3)16/h6-8H,5H2,1-4H3
InChIKeyPVZAWNAFVQWXIK-UHFFFAOYSA-N
XLogP2.55
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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1-[2-[ethyl(propyl)amino]phenyl]ethanone
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1-[2-[2-hydroxypropyl(methyl)amino]phenyl]ethanone
CID 62332772
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CID 176967428
1-[2-amino-3-(dipropylamino)phenyl]ethanone
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1-[4-[ethyl(methyl)amino]-3-methylphenyl]ethanone
CID 20641435
1-[2-[ethyl-(2-hydroxy-2-methylpropyl)amino]phenyl]ethanone
CID 79387122
1-(2,6-diethylphenyl)ethanone
CID 14939611
1-(2-acetyl-3-benzoylphenyl)ethanone
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1-(2,3-diacetylphenyl)-2-phenylethane-1,2-dione
CID 54447040

Frequently Asked Questions

What is the IUPAC name of 1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone?
The IUPAC name of 1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone (CID 178000632) is 1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone.
What is the SMILES notation for 1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone?
The canonical SMILES for 1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone is CCN(C)c1cccc(C(C)=O)c1C(C)=O.
What is the InChIKey of 1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone?
The InChIKey is PVZAWNAFVQWXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-5-14(4)12-8-6-7-11(9(2)15)13(12)10(3)16/h6-8H,5H2,1-4H3.
What are the key properties of 1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone?
1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone has a molecular weight of 219.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-acetyl-3-[ethyl(methyl)amino]phenyl]ethanone is sourced from PubChem (CID 178000632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).