1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one

C12H16ClNO — CID 11747400

IUPAC1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
SMILESCC(CN(C)C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9(8-14(2)3)12(15)10-5-4-6-11(13)7-10/h4-7,9H,8H2,1-3H3
InChIKeyRJSCOXOAATUJOQ-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.72
Rot. Bonds4

About 1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one

1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one (PubChem CID 11747400) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
PubChem CID11747400
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one
SMILESCC(CN(C)C)C(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H16ClNO/c1-9(8-14(2)3)12(15)10-5-4-6-11(13)7-10/h4-7,9H,8H2,1-3H3
InChIKeyRJSCOXOAATUJOQ-UHFFFAOYSA-N
XLogP2.72
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-1-(3-aminophenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 53235046
(2R)-2-amino-1-(3-chlorophenyl)propan-1-one
CID 58665961
(2R)-2-[tert-butyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 102183228
1-(4-chloro-2-methylphenyl)-3-(dimethylamino)-2-methylpropan-1-one
CID 70894923
5-(3-chlorophenyl)-5-(4-chlorophenyl)-N,N,2,4-tetramethylpent-4-en-1-amine
CID 158245364
3-(dimethylamino)-2-methyl-1-(3-prop-2-enoxyphenyl)propan-1-one
CID 90058025
1-(3-chlorophenyl)-2-(dimethylamino)ethanone
CID 10998918
1-(3-chlorophenyl)-2-[methyl(2-methylbutyl)amino]ethanone
CID 43796175
2-[benzyl(methyl)amino]-1-(3-chlorophenyl)propan-1-one
CID 62050558
1-(3-chlorophenyl)ethanone;1-(3-chlorophenyl)-2-methylpropan-1-one
CID 157068093
methyl 3-[(3-chlorobenzoyl)-methylamino]-2-methylpropanoate
CID 55008439
3-[[1-(3-chlorophenyl)-1-oxopropan-2-yl]-methylamino]propanenitrile
CID 62050758

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one (CID 11747400) is 1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one is CC(CN(C)C)C(=O)c1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one?
The InChIKey is RJSCOXOAATUJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-9(8-14(2)3)12(15)10-5-4-6-11(13)7-10/h4-7,9H,8H2,1-3H3.
What are the key properties of 1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one?
1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one has a molecular weight of 225.72 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-(dimethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 11747400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).