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

C15H20ClNO — CID 62980236

IUPAC2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one
SMILESCC(c1ccc(Cl)cc1)N(C)C1CCCCC1=O
InChIInChI=1S/C15H20ClNO/c1-11(12-7-9-13(16)10-8-12)17(2)14-5-3-4-6-15(14)18/h7-11,14H,3-6H2,1-2H3
InChIKeyUBOIHZICYXIWCF-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.84
Rot. Bonds3

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

2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one (PubChem CID 62980236) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one
PubChem CID62980236
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one
SMILESCC(c1ccc(Cl)cc1)N(C)C1CCCCC1=O
InChIInChI=1S/C15H20ClNO/c1-11(12-7-9-13(16)10-8-12)17(2)14-5-3-4-6-15(14)18/h7-11,14H,3-6H2,1-2H3
InChIKeyUBOIHZICYXIWCF-UHFFFAOYSA-N
XLogP3.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)ethyl-methylamino]cyclopentan-1-one
CID 55142595
2-[methyl(1-thiophen-2-ylethyl)amino]cycloheptan-1-one
CID 55134907
2-[1-cyclopropylethyl(methyl)amino]cycloheptan-1-one
CID 60863640
2-[methyl(2-methylpropyl)amino]cyclohexan-1-one
CID 43795669
1-N-[1-(4-chlorophenyl)ethyl]-1-N-methylcyclohexane-1,3-diamine
CID 79467705
N-[1-(4-chlorophenyl)ethyl]-N-methyl-2-[(propan-2-ylamino)methyl]cyclobutan-1-amine
CID 80999920
3-[methyl-(2-oxocycloheptyl)amino]butanenitrile
CID 63223261
2-[1-(4-chloroanilino)-2-methylpropyl]cyclohexan-1-one
CID 102017033
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
2-[methyl(2-methylpropyl)amino]cyclopentan-1-one
CID 43795675

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one?
The IUPAC name of 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one (CID 62980236) is 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one?
The canonical SMILES for 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one is CC(c1ccc(Cl)cc1)N(C)C1CCCCC1=O.
What is the InChIKey of 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one?
The InChIKey is UBOIHZICYXIWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-11(12-7-9-13(16)10-8-12)17(2)14-5-3-4-6-15(14)18/h7-11,14H,3-6H2,1-2H3.
What are the key properties of 2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one?
2-[1-(4-chlorophenyl)ethyl-methylamino]cyclohexan-1-one has a molecular weight of 265.78 g/mol, XLogP of 3.84, 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]cyclohexan-1-one is sourced from PubChem (CID 62980236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).