1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone

C12H17NO3 — CID 13302045

IUPAC1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
SMILESCOc1ccc(OC)c(C(=O)CN(C)C)c1
InChIInChI=1S/C12H17NO3/c1-13(2)8-11(14)10-7-9(15-3)5-6-12(10)16-4/h5-7H,8H2,1-4H3
InChIKeyZSIRPQCIOCRLSM-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.45
Rot. Bonds5

About 1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone

1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone (PubChem CID 13302045) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
PubChem CID13302045
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
SMILESCOc1ccc(OC)c(C(=O)CN(C)C)c1
InChIInChI=1S/C12H17NO3/c1-13(2)8-11(14)10-7-9(15-3)5-6-12(10)16-4/h5-7H,8H2,1-4H3
InChIKeyZSIRPQCIOCRLSM-UHFFFAOYSA-N
XLogP1.45
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(dimethylamino)-1-(2-fluoro-4-methoxyphenyl)ethanone
CID 103694166
3-amino-1-(2,5-dimethoxyphenyl)propan-1-one
CID 10149089
1-(2,5-dimethoxyphenyl)pentane-1,4-dione
CID 43608296
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] carbamate
CID 119090108
2-(aziridin-1-yl)-1-(2,5-dimethoxyphenyl)ethanone
CID 94683814
2-(dimethylamino)-1-(4-hydroxy-2-methoxyphenyl)ethanone
CID 170896098
(2,5-dimethoxybenzoyl) 2,5-dimethoxybenzoate
CID 122207257
5-chloro-1-(2,5-dimethoxyphenyl)pentan-1-one
CID 18931430
3-(2,5-dimethoxyphenyl)-3-oxopropane-1-sulfonic acid
CID 94698323
N-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]methanesulfonamide
CID 94282290
1-(2,5-dimethoxyphenyl)-2-(2,6-dimethylphenyl)ethanone
CID 115792599
1-(2,5-dimethoxyphenyl)-5-methylhexan-1-one
CID 115795487

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone (CID 13302045) is 1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone is COc1ccc(OC)c(C(=O)CN(C)C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone?
The InChIKey is ZSIRPQCIOCRLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-13(2)8-11(14)10-7-9(15-3)5-6-12(10)16-4/h5-7H,8H2,1-4H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone?
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone has a molecular weight of 223.27 g/mol, XLogP of 1.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 13302045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).