2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone

C14H17Cl2NO — CID 43796704

IUPAC2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone
SMILESCC(C1CC1)N(C)CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO/c1-9(10-3-4-10)17(2)8-14(18)12-6-5-11(15)7-13(12)16/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyGVJAJZYHYMSRCF-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.91
Rot. Bonds5

About 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone

2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone (PubChem CID 43796704) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone.

Molecular Properties

Compound Name2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone
PubChem CID43796704
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone
SMILESCC(C1CC1)N(C)CC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H17Cl2NO/c1-9(10-3-4-10)17(2)8-14(18)12-6-5-11(15)7-13(12)16/h5-7,9-10H,3-4,8H2,1-2H3
InChIKeyGVJAJZYHYMSRCF-UHFFFAOYSA-N
XLogP3.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,4-dichlorophenyl)-2-[1-methoxypropan-2-yl(methyl)amino]ethanone
CID 54946377
2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone
CID 43794977
4-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420563
N-cyclopropyl-2-[[2-(2,4-dichlorophenyl)-2-oxoethyl]-methylamino]acetamide
CID 60681736
5-chloro-N-(1-cyclopropylethyl)-2-hydroxy-N-methylbenzamide
CID 43420549
2-[1-cyclopropylethyl(methyl)amino]-1-(4-iodophenyl)ethanone
CID 43796685
1-(4-bromophenyl)-2-[1-cyclopropylethyl(methyl)amino]ethanone
CID 43796654
1-(2,4-dichlorophenyl)-2-[3-(dimethylamino)propyl-methylamino]ethanone
CID 63699718
5-chloro-N-(1-cyclopropylethyl)-2-fluoro-N-methylbenzamide
CID 60724229
1-(2,4-dichlorophenyl)-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]ethanone
CID 79319415
3-[cyclopropyl-[2-(2,4-dichlorophenyl)-2-oxoethyl]amino]propanenitrile
CID 62036058
N-(5-amino-2-chlorophenyl)-2-[1-cyclopropylethyl(methyl)amino]acetamide
CID 43568654

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone?
The IUPAC name of 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone (CID 43796704) is 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone.
What is the SMILES notation for 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone?
The canonical SMILES for 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone is CC(C1CC1)N(C)CC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone?
The InChIKey is GVJAJZYHYMSRCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-9(10-3-4-10)17(2)8-14(18)12-6-5-11(15)7-13(12)16/h5-7,9-10H,3-4,8H2,1-2H3.
What are the key properties of 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone?
2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone has a molecular weight of 286.20 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyclopropylethyl(methyl)amino]-1-(2,4-dichlorophenyl)ethanone is sourced from PubChem (CID 43796704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).