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

C14H18ClNO — CID 55142595

IUPAC2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one
SMILESCC(c1ccc(Cl)cc1)N(C)C1CCCC1=O
InChIInChI=1S/C14H18ClNO/c1-10(11-6-8-12(15)9-7-11)16(2)13-4-3-5-14(13)17/h6-10,13H,3-5H2,1-2H3
InChIKeyBYFSKDUHMZYRDF-UHFFFAOYSA-N
MW251.76 g/mol
LogP3.45
Rot. Bonds3

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

2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one (PubChem CID 55142595) has the molecular formula C14H18ClNO and a molecular weight of 251.76 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one
PubChem CID55142595
Molecular FormulaC14H18ClNO
Molecular Weight251.76 g/mol
Exact Mass251.11
IUPAC Name2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one
SMILESCC(c1ccc(Cl)cc1)N(C)C1CCCC1=O
InChIInChI=1S/C14H18ClNO/c1-10(11-6-8-12(15)9-7-11)16(2)13-4-3-5-14(13)17/h6-10,13H,3-5H2,1-2H3
InChIKeyBYFSKDUHMZYRDF-UHFFFAOYSA-N
XLogP3.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.76
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one
CID 62980236
2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one
CID 55134907
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
CID 79467705
2-[methyl(2-methylpropyl)amino]cyclopentan-1-one
CID 43795675
2-[methyl-[1-(1-methylcyclopropyl)ethyl]amino]cyclopentan-1-one
CID 130948154
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999920
2-[1-cyclopropylethyl(methyl)amino]cycloheptan-1-one
CID 60863640
1-(4-chlorophenyl)-N-methyl-N-(pyrrolidin-2-ylmethyl)ethanamine
CID 62980654
2-[(4-chlorophenyl)methyl]cyclopentan-1-one;methyl formate
CID 174804298
2-[2-[(4-chlorophenyl)methyl-methylamino]ethyl]cyclopentan-1-one
CID 79569131
2-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopentyl-2-N-methylpropane-1,2-diamine
CID 62984217
1-[1-(4-chlorophenyl)ethyl-methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 62979247

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one (CID 55142595) is 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one is CC(c1ccc(Cl)cc1)N(C)C1CCCC1=O.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one?
The InChIKey is BYFSKDUHMZYRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO/c1-10(11-6-8-12(15)9-7-11)16(2)13-4-3-5-14(13)17/h6-10,13H,3-5H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one?
2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one has a molecular weight of 251.76 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one is sourced from PubChem (CID 55142595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).