1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone

C12H17NO2 — CID 16403

IUPAC1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)C
InChIInChI=1S/C12H17NO2/c1-10(14)11-6-4-5-7-12(11)15-9-8-13(2)3/h4-7H,8-9H2,1-3H3
InChIKeyPKEROHUSQKVCKS-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.83
Rot. Bonds5

About 1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone

1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone (PubChem CID 16403) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone
PubChem CID16403
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCN(C)C
InChIInChI=1S/C12H17NO2/c1-10(14)11-6-4-5-7-12(11)15-9-8-13(2)3/h4-7H,8-9H2,1-3H3
InChIKeyPKEROHUSQKVCKS-UHFFFAOYSA-N
XLogP1.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone (CID 16403) is 1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCN(C)C.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone?
The InChIKey is PKEROHUSQKVCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-10(14)11-6-4-5-7-12(11)15-9-8-13(2)3/h4-7H,8-9H2,1-3H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone?
1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone has a molecular weight of 207.27 g/mol, XLogP of 1.83, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethoxy]phenyl]ethanone is sourced from PubChem (CID 16403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).