1-(3-chlorophenyl)-2-(dimethylamino)ethanone

C10H12ClNO — CID 10998918

IUPAC1-(3-chlorophenyl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO/c1-12(2)7-10(13)8-4-3-5-9(11)6-8/h3-6H,7H2,1-2H3
InChIKeyGRKHELZXFYFJEE-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.08
Rot. Bonds3

About 1-(3-chlorophenyl)-2-(dimethylamino)ethanone

1-(3-chlorophenyl)-2-(dimethylamino)ethanone (PubChem CID 10998918) has the molecular formula C10H12ClNO and a molecular weight of 197.67 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2-(dimethylamino)ethanone.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2-(dimethylamino)ethanone
PubChem CID10998918
Molecular FormulaC10H12ClNO
Molecular Weight197.67 g/mol
Exact Mass197.06
IUPAC Name1-(3-chlorophenyl)-2-(dimethylamino)ethanone
SMILESCN(C)CC(=O)c1cccc(Cl)c1
InChIInChI=1S/C10H12ClNO/c1-12(2)7-10(13)8-4-3-5-9(11)6-8/h3-6H,7H2,1-2H3
InChIKeyGRKHELZXFYFJEE-UHFFFAOYSA-N
XLogP2.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796175
1-(3-chlorophenyl)-2-[methyl(3-methylbutyl)amino]ethanone
CID 61428684
1-(3-chlorophenyl)-2-[(4-fluorophenyl)methyl-methylamino]ethanone
CID 62030758
1-(3-chlorophenyl)-2-(N,2,4-trimethylanilino)ethanone
CID 63566298
1-(3-chlorophenyl)butane-1,3-dione
CID 15256966
1-(3-chloro-4-fluorophenyl)-2-(dimethylamino)ethanone
CID 126971234
3-[2-(dimethylamino)acetyl]benzaldehyde
CID 55272304
1-(3-chlorophenyl)-2-[methyl(thiophen-2-ylmethyl)amino]ethanone
CID 62053358
1-(3-chlorophenyl)-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanone
CID 114950454
2-[[2-(3-chlorophenyl)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 62037418
1-(3-chlorophenyl)-3,3,3-trideuteriopropan-1-one
CID 122651626
1-(3-chlorophenyl)-2-[methyl(pyridin-2-ylmethyl)amino]ethanone
CID 62052783

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2-(dimethylamino)ethanone?
The IUPAC name of 1-(3-chlorophenyl)-2-(dimethylamino)ethanone (CID 10998918) is 1-(3-chlorophenyl)-2-(dimethylamino)ethanone.
What is the SMILES notation for 1-(3-chlorophenyl)-2-(dimethylamino)ethanone?
The canonical SMILES for 1-(3-chlorophenyl)-2-(dimethylamino)ethanone is CN(C)CC(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2-(dimethylamino)ethanone?
The InChIKey is GRKHELZXFYFJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-12(2)7-10(13)8-4-3-5-9(11)6-8/h3-6H,7H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2-(dimethylamino)ethanone?
1-(3-chlorophenyl)-2-(dimethylamino)ethanone has a molecular weight of 197.67 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2-(dimethylamino)ethanone is sourced from PubChem (CID 10998918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).