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

C18H26ClNO — CID 63484465

IUPAC2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)C(C)c2ccccc2Cl)C1
InChIInChI=1S/C18H26ClNO/c1-4-14-9-10-18(21)15(11-14)12-20(3)13(2)16-7-5-6-8-17(16)19/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyDAIBTHGGNIDYCV-UHFFFAOYSA-N
MW307.86 g/mol
LogP4.73
Rot. Bonds5

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

2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one (PubChem CID 63484465) has the molecular formula C18H26ClNO and a molecular weight of 307.86 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one
PubChem CID63484465
Molecular FormulaC18H26ClNO
Molecular Weight307.86 g/mol
Exact Mass307.17
IUPAC Name2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one
SMILESCCC1CCC(=O)C(CN(C)C(C)c2ccccc2Cl)C1
InChIInChI=1S/C18H26ClNO/c1-4-14-9-10-18(21)15(11-14)12-20(3)13(2)16-7-5-6-8-17(16)19/h5-8,13-15H,4,9-12H2,1-3H3
InChIKeyDAIBTHGGNIDYCV-UHFFFAOYSA-N
XLogP4.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.86
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 79533826
2-[[butan-2-yl(ethyl)amino]methyl]-4-ethylcyclohexan-1-one
CID 62612029
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
2-[(N-methylanilino)methyl]-4-propylcyclohexan-1-one
CID 62612678
1-(2-chlorophenyl)-N-methyl-N-[[(3R)-piperidin-3-yl]methyl]ethanamine
CID 112736627
4-ethyl-2-[[methyl(thiophen-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612203
4-ethyl-2-[[methyl(2-methylbutan-2-yl)amino]methyl]cyclohexan-1-one
CID 63964938
4-ethyl-2-[[methyl-(3-methylcyclohexyl)amino]methyl]cyclohexan-1-one
CID 55094782
1-(2-chlorophenyl)-N-methyl-N-[[(2R)-pyrrolidin-2-yl]methyl]ethanamine
CID 102819503
4-methyl-2-[[methyl(1-thiophen-2-ylethyl)amino]methyl]cyclohexan-1-one
CID 62614034
4-ethyl-2-[[pentyl(propan-2-yl)amino]methyl]cyclohexan-1-one
CID 63484095
4-ethyl-2-[(N-ethyl-4-methylanilino)methyl]cyclohexan-1-one
CID 63483006

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one?
The IUPAC name of 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one (CID 63484465) is 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one?
The canonical SMILES for 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one is CCC1CCC(=O)C(CN(C)C(C)c2ccccc2Cl)C1.
What is the InChIKey of 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one?
The InChIKey is DAIBTHGGNIDYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClNO/c1-4-14-9-10-18(21)15(11-14)12-20(3)13(2)16-7-5-6-8-17(16)19/h5-8,13-15H,4,9-12H2,1-3H3.
What are the key properties of 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one?
2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one has a molecular weight of 307.86 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)ethyl-methylamino]methyl]-4-ethylcyclohexan-1-one is sourced from PubChem (CID 63484465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).