1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone

C17H23Cl2NO — CID 63565926

IUPAC1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
SMILESCCC1CCC(N(C)CC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H23Cl2NO/c1-3-12-4-7-14(8-5-12)20(2)11-17(21)15-10-13(18)6-9-16(15)19/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3
InChIKeyRBEYYGVUGPXFRZ-UHFFFAOYSA-N
MW328.28 g/mol
LogP5.08
Rot. Bonds5

About 1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone

1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone (PubChem CID 63565926) has the molecular formula C17H23Cl2NO and a molecular weight of 328.28 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
PubChem CID63565926
Molecular FormulaC17H23Cl2NO
Molecular Weight328.28 g/mol
Exact Mass327.12
IUPAC Name1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
SMILESCCC1CCC(N(C)CC(=O)c2cc(Cl)ccc2Cl)CC1
InChIInChI=1S/C17H23Cl2NO/c1-3-12-4-7-14(8-5-12)20(2)11-17(21)15-10-13(18)6-9-16(15)19/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3
InChIKeyRBEYYGVUGPXFRZ-UHFFFAOYSA-N
XLogP5.08
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.28
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cycloheptyl(methyl)amino]-1-(2,5-dichlorophenyl)ethanone
CID 43797615
1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
CID 63567177
2-[cyclopropyl(ethyl)amino]-1-(2,4-dichlorophenyl)ethanone
CID 43794977
1-(4-bromophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone
CID 63567709
1-(2,5-dichlorophenyl)-2-[3-(dimethylamino)propyl-ethylamino]ethanone
CID 102995029
1-(4-chlorophenyl)-2-[cyclohexyl(methyl)amino]ethanone
CID 43219367
2-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]-N-methylacetamide
CID 60680843
4-chloro-2-[(4-ethylcyclohexyl)-methylamino]benzenecarbothioamide
CID 63518376
1-(2,5-dichlorophenyl)-2-[(4-hydroxyoxan-4-yl)methyl-methylamino]ethanone
CID 114950486
1-(2,5-dichlorophenyl)-2-[methyl(2-methylsulfanylethyl)amino]ethanone
CID 112661947
1-(2,5-dichlorophenyl)-2-[2-methoxyethyl(methyl)amino]ethanone
CID 61427107
3-[[2-(2,5-dichlorophenyl)-2-oxoethyl]-methylamino]butanenitrile
CID 63223172

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone (CID 63565926) is 1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone is CCC1CCC(N(C)CC(=O)c2cc(Cl)ccc2Cl)CC1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone?
The InChIKey is RBEYYGVUGPXFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2NO/c1-3-12-4-7-14(8-5-12)20(2)11-17(21)15-10-13(18)6-9-16(15)19/h6,9-10,12,14H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone?
1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone has a molecular weight of 328.28 g/mol, XLogP of 5.08, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichlorophenyl)-2-[(4-ethylcyclohexyl)-methylamino]ethanone is sourced from PubChem (CID 63565926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).