2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone

C12H17NO2 — CID 82077457

IUPAC2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(C)C)cc1C
InChIInChI=1S/C12H17NO2/c1-9-7-10(5-6-12(9)15-4)11(14)8-13(2)3/h5-7H,8H2,1-4H3
InChIKeyQBGKVORRHIHGNB-UHFFFAOYSA-N
MW207.27 g/mol
LogP1.75
Rot. Bonds4

About 2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone

2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone (PubChem CID 82077457) has the molecular formula C12H17NO2 and a molecular weight of 207.27 g/mol. Its IUPAC name is 2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone.

Molecular Properties

Compound Name2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
PubChem CID82077457
Molecular FormulaC12H17NO2
Molecular Weight207.27 g/mol
Exact Mass207.13
IUPAC Name2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone
SMILESCOc1ccc(C(=O)CN(C)C)cc1C
InChIInChI=1S/C12H17NO2/c1-9-7-10(5-6-12(9)15-4)11(14)8-13(2)3/h5-7H,8H2,1-4H3
InChIKeyQBGKVORRHIHGNB-UHFFFAOYSA-N
XLogP1.75
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.27
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-1-(4-methoxy-3-methylphenyl)ethanone
CID 13440066
2-[3-(dimethylamino)propylamino]-1-(4-methoxy-3-methylphenyl)ethanone
CID 82101787
N,N-diethyl-4-methoxy-3-methylbenzamide
CID 10353462
1-(4-methoxy-3-methylphenyl)-2-(4-methylanilino)ethanone
CID 94279481
11-bromo-1-(4-methoxy-3-methylphenyl)undecan-1-one
CID 102469746
4-methoxy-1-(4-methoxy-3-methylphenyl)-4-methylpentan-1-one
CID 103035398
4-(4-methoxy-3-methylphenyl)-N-methyl-4-oxobutanamide
CID 94262532
1-(4-methoxy-3-methylphenyl)-2-(propylamino)ethanone
CID 82101767
N-ethyl-4-(4-methoxy-3-methylphenyl)-4-oxobutanamide
CID 94268012
2-(4-methoxy-3-methylphenyl)-2-oxoacetaldehyde
CID 83529774
1-(4-methoxy-3-methylphenyl)-2,2-dimethylpropan-1-one
CID 15324535
1-(2,5-dimethoxyphenyl)-2-(dimethylamino)ethanone
CID 13302045

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone?
The IUPAC name of 2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone (CID 82077457) is 2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone.
What is the SMILES notation for 2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone?
The canonical SMILES for 2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone is COc1ccc(C(=O)CN(C)C)cc1C.
What is the InChIKey of 2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone?
The InChIKey is QBGKVORRHIHGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO2/c1-9-7-10(5-6-12(9)15-4)11(14)8-13(2)3/h5-7H,8H2,1-4H3.
What are the key properties of 2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone?
2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone has a molecular weight of 207.27 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-(4-methoxy-3-methylphenyl)ethanone is sourced from PubChem (CID 82077457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).