2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

C18H23Cl2NO2 — CID 75585799

IUPAC2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H23Cl2NO2/c1-17(2)7-13-8-18(3,10-17)11-21(13)16(22)9-23-15-5-4-12(19)6-14(15)20/h4-6,13H,7-11H2,1-3H3
InChIKeyKMVDERVAHBLDRX-UHFFFAOYSA-N
MW356.29 g/mol
LogP4.80
Rot. Bonds3

About 2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone

2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone (PubChem CID 75585799) has the molecular formula C18H23Cl2NO2 and a molecular weight of 356.29 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
PubChem CID75585799
Molecular FormulaC18H23Cl2NO2
Molecular Weight356.29 g/mol
Exact Mass355.11
IUPAC Name2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone
SMILESCC1(C)CC2CC(C)(CN2C(=O)COc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C18H23Cl2NO2/c1-17(2)7-13-8-18(3,10-17)11-21(13)16(22)9-23-15-5-4-12(19)6-14(15)20/h4-6,13H,7-11H2,1-3H3
InChIKeyKMVDERVAHBLDRX-UHFFFAOYSA-N
XLogP4.80
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.29
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The IUPAC name of 2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone (CID 75585799) is 2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone is CC1(C)CC2CC(C)(CN2C(=O)COc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
The InChIKey is KMVDERVAHBLDRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2NO2/c1-17(2)7-13-8-18(3,10-17)11-21(13)16(22)9-23-15-5-4-12(19)6-14(15)20/h4-6,13H,7-11H2,1-3H3.
What are the key properties of 2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone?
2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone has a molecular weight of 356.29 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-1-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethanone is sourced from PubChem (CID 75585799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).