1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone

C14H17Cl2NO — CID 116607168

IUPAC1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone
SMILESCC1(C(=O)Cc2c(Cl)cccc2Cl)CCCC1N
InChIInChI=1S/C14H17Cl2NO/c1-14(7-3-6-12(14)17)13(18)8-9-10(15)4-2-5-11(9)16/h2,4-5,12H,3,6-8,17H2,1H3
InChIKeyGCFJYQJBXXQMCF-UHFFFAOYSA-N
MW286.20 g/mol
LogP3.62
Rot. Bonds3

About 1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone

1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone (PubChem CID 116607168) has the molecular formula C14H17Cl2NO and a molecular weight of 286.20 g/mol. Its IUPAC name is 1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone
PubChem CID116607168
Molecular FormulaC14H17Cl2NO
Molecular Weight286.20 g/mol
Exact Mass285.07
IUPAC Name1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone
SMILESCC1(C(=O)Cc2c(Cl)cccc2Cl)CCCC1N
InChIInChI=1S/C14H17Cl2NO/c1-14(7-3-6-12(14)17)13(18)8-9-10(15)4-2-5-11(9)16/h2,4-5,12H,3,6-8,17H2,1H3
InChIKeyGCFJYQJBXXQMCF-UHFFFAOYSA-N
XLogP3.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.20
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-1-methylcyclopentane-1-carboxamide
CID 103292391
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)-3-methylcyclohexyl]ethanone
CID 79062570
2-(2,6-dichlorophenyl)-1-[1-(dimethylamino)cycloheptyl]ethanone
CID 79063235
2-(2,6-dichlorophenyl)-1-(2-methylpyrrolidin-2-yl)ethanone
CID 116580405
1-(2-amino-1-methylcyclopentyl)-2-(5-bromo-2-pyridinyl)ethanone
CID 116607382
2-(2,6-dichlorophenyl)-1-(1-hydroxycycloheptyl)ethanone
CID 103450231
(2-amino-1-methylcyclopentyl)-(4-chlorophenyl)methanone
CID 116607206
1-(2-amino-1-methylcyclopentyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanone
CID 116607345
1-(2-amino-1-methylcyclopentyl)-2-(1-methylpyrazol-4-yl)ethanone
CID 116607321
1-(2-amino-1-methylcyclopentyl)-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 116607340
2-(2,6-dichlorophenyl)-1-(1-ethoxy-3-methylcyclohexyl)ethanone
CID 116749946
(2-amino-1-methylcyclopentyl)-(3-chloro-4-methylphenyl)methanone
CID 107561390

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone?
The IUPAC name of 1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone (CID 116607168) is 1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone?
The canonical SMILES for 1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone is CC1(C(=O)Cc2c(Cl)cccc2Cl)CCCC1N.
What is the InChIKey of 1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone?
The InChIKey is GCFJYQJBXXQMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO/c1-14(7-3-6-12(14)17)13(18)8-9-10(15)4-2-5-11(9)16/h2,4-5,12H,3,6-8,17H2,1H3.
What are the key properties of 1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone?
1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone has a molecular weight of 286.20 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-1-methylcyclopentyl)-2-(2,6-dichlorophenyl)ethanone is sourced from PubChem (CID 116607168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).