2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one

C15H20ClNO — CID 79569131

IUPAC2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one
SMILESCN(CCC1CCCC1=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c1-17(10-9-13-3-2-4-15(13)18)11-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3
InChIKeyWRIWJEHPUWHMGF-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.53
Rot. Bonds5

About 2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one

2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one (PubChem CID 79569131) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one
PubChem CID79569131
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one
SMILESCN(CCC1CCCC1=O)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H20ClNO/c1-17(10-9-13-3-2-4-15(13)18)11-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3
InChIKeyWRIWJEHPUWHMGF-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-[methyl(pyridin-4-ylmethyl)amino]ethyl]cyclopentan-1-one
CID 79568814
N,N'-bis[(4-chlorophenyl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 10472232
N,N-dimethyl-2-[methyl-[2-(2-oxocyclopentyl)ethyl]amino]acetamide
CID 79570581
2-[2-[(4-chlorophenyl)methylsulfonyl]ethyl]cyclopentan-1-one
CID 114792723
2-[[(3-chlorophenyl)methyl-methylamino]methyl]cyclopentan-1-one
CID 55094732
N-[(4-chlorophenyl)methyl]-2-(1,3-dioxan-2-yl)-N-methylethanamine
CID 66472313
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]cyclopentan-1-one
CID 79570863
2-[2-[methyl-[2-(methylamino)ethyl]amino]ethyl]cyclopentan-1-one
CID 79568973
N-methyl-2-[methyl-[2-(2-oxocyclopentyl)ethyl]amino]acetamide
CID 79570720
2-[[(4-bromophenyl)methyl-methylamino]methyl]cycloheptan-1-one
CID 55094311
2-[(4-chlorophenyl)methyl]cyclopentan-1-one;methyl formate
CID 174804298
3-chloro-N-[(4-chlorophenyl)methyl]-N-methylpropan-1-amine
CID 61414656

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one (CID 79569131) is 2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one is CN(CCC1CCCC1=O)Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one?
The InChIKey is WRIWJEHPUWHMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-17(10-9-13-3-2-4-15(13)18)11-12-5-7-14(16)8-6-12/h5-8,13H,2-4,9-11H2,1H3.
What are the key properties of 2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one?
2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one has a molecular weight of 265.78 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one is sourced from PubChem (CID 79569131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).