1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone

C16H21Cl2NO — CID 63567177

IUPAC1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
SMILESCC1CCCC(N(C)CC(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H21Cl2NO/c1-11-4-3-5-13(8-11)19(2)10-16(20)14-9-12(17)6-7-15(14)18/h6-7,9,11,13H,3-5,8,10H2,1-2H3
InChIKeyJYDBZJBPKUVCLQ-UHFFFAOYSA-N
MW314.26 g/mol
LogP4.69
Rot. Bonds4

About 1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone

1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone (PubChem CID 63567177) has the molecular formula C16H21Cl2NO and a molecular weight of 314.26 g/mol. Its IUPAC name is 1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone.

Molecular Properties

Compound Name1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
PubChem CID63567177
Molecular FormulaC16H21Cl2NO
Molecular Weight314.26 g/mol
Exact Mass313.10
IUPAC Name1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone
SMILESCC1CCCC(N(C)CC(=O)c2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C16H21Cl2NO/c1-11-4-3-5-13(8-11)19(2)10-16(20)14-9-12(17)6-7-15(14)18/h6-7,9,11,13H,3-5,8,10H2,1-2H3
InChIKeyJYDBZJBPKUVCLQ-UHFFFAOYSA-N
XLogP4.69
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.26
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 3031077
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CID 15944740
1-(2,5-Dichlorophenyl)-2-(4-ethylpiperazin-1-yl)ethanone
CID 2407021
1-(3,4-Dichlorophenyl)-2-(3-methylpiperidin-1-yl)ethanone
CID 5218417
1-(3,4-Dichlorophenyl)-2-piperidin-1-yl-pentan-1-one
CID 11449834
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CID 44543270

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone?
The IUPAC name of 1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone (CID 63567177) is 1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone.
What is the SMILES notation for 1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone?
The canonical SMILES for 1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone is CC1CCCC(N(C)CC(=O)c2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone?
The InChIKey is JYDBZJBPKUVCLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO/c1-11-4-3-5-13(8-11)19(2)10-16(20)14-9-12(17)6-7-15(14)18/h6-7,9,11,13H,3-5,8,10H2,1-2H3.
What are the key properties of 1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone?
1-(2,5-dichlorophenyl)-2-[methyl-(3-methylcyclohexyl)amino]ethanone has a molecular weight of 314.26 g/mol, XLogP of 4.69, 4 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-[methyl-(3-methylcyclohexyl)amino]ethanone is sourced from PubChem (CID 63567177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).