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

C12H16ClNO — CID 116565139

IUPAC1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-3-14-8-9(2)12(15)10-6-4-5-7-11(10)13/h4-7,9,14H,3,8H2,1-2H3
InChIKeyAFOYAKIVZRILJA-UHFFFAOYSA-N
MW225.72 g/mol
LogP2.77
Rot. Bonds5

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

1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one (PubChem CID 116565139) has the molecular formula C12H16ClNO and a molecular weight of 225.72 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one
PubChem CID116565139
Molecular FormulaC12H16ClNO
Molecular Weight225.72 g/mol
Exact Mass225.09
IUPAC Name1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one
SMILESCCNCC(C)C(=O)c1ccccc1Cl
InChIInChI=1S/C12H16ClNO/c1-3-14-8-9(2)12(15)10-6-4-5-7-11(10)13/h4-7,9,14H,3,8H2,1-2H3
InChIKeyAFOYAKIVZRILJA-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.72
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11830112
2-chloro-1-(2-chlorophenyl)propan-1-one
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1-(3-chloro-2-methylphenyl)-2-methylbutan-1-one
CID 107101742
2-chloro-5-[[3-(ethylamino)-2-methylpropanoyl]amino]benzamide
CID 55122685
3-(ethylamino)-2-methyl-N-(2-methylphenyl)propanamide
CID 45097653
3-(2-chlorophenoxy)-N-ethyl-2-methylpropan-1-amine
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3-(ethylamino)-2-methyl-N-(2-phenylpyrimidin-5-yl)propanamide
CID 62851834
1-(2-chlorophenyl)-2-methylsulfonylpropan-1-one
CID 114963310
1-(2-chlorophenyl)-2-methyl-5-phenylpentane-1,3,5-trione
CID 19847705
1-phenylethyl 3-(ethylamino)-2-methylpropanoate
CID 62852098
2-chloro-N-[1-[2-(ethylamino)ethylamino]-3-methyl-1-oxobutan-2-yl]benzamide;hydrochloride
CID 119506529
3-(ethylamino)-2-methyl-1-(2-propylpyrazol-3-yl)propan-1-one
CID 116565240

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one?
The IUPAC name of 1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one (CID 116565139) is 1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one is CCNCC(C)C(=O)c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one?
The InChIKey is AFOYAKIVZRILJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO/c1-3-14-8-9(2)12(15)10-6-4-5-7-11(10)13/h4-7,9,14H,3,8H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one?
1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one has a molecular weight of 225.72 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-3-(ethylamino)-2-methylpropan-1-one is sourced from PubChem (CID 116565139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).