N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

C16H23ClN2O — CID 61231269

IUPACN-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(CCOc1ccccc1Cl)C1CC2CCC(C1)N2
InChIInChI=1S/C16H23ClN2O/c1-19(14-10-12-6-7-13(11-14)18-12)8-9-20-16-5-3-2-4-15(16)17/h2-5,12-14,18H,6-11H2,1H3
InChIKeyGTDYQSDRXBPJIH-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.93
Rot. Bonds5

About N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine

N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61231269) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61231269
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC NameN-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(CCOc1ccccc1Cl)C1CC2CCC(C1)N2
InChIInChI=1S/C16H23ClN2O/c1-19(14-10-12-6-7-13(11-14)18-12)8-9-20-16-5-3-2-4-15(16)17/h2-5,12-14,18H,6-11H2,1H3
InChIKeyGTDYQSDRXBPJIH-UHFFFAOYSA-N
XLogP2.93
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2-chlorophenoxy)ethyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 119922977
N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane
CID 144963079
1-tert-butyl-N-[2-(2-chlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 118531540
N-[2-(2,6-dimethylphenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120966598
N-[2-(2-chlorophenoxy)ethyl]-N-propylazetidin-3-amine
CID 66214909
2-[2-(2-chlorophenoxy)ethyl-cyclopentylamino]ethanol
CID 62014085
3-(2-chlorophenoxy)-N-cyclopropyl-N-(2-hydroxyethyl)propanamide
CID 43576626
N-[2-(2-chlorophenoxy)ethyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921660
2-(2-chlorophenoxy)-N-methyl-N-(piperidin-3-ylmethyl)ethanamine;hydrochloride
CID 119929847
N-[2-(2,6-dichlorophenoxy)ethyl]-N-methylpiperidin-4-amine
CID 43607211
3-(2-chlorophenoxy)-N-methyl-N-piperidin-4-ylpropanamide;hydrochloride
CID 119442168
N-[(2-chloro-6-ethylphenyl)methyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine;hydrochloride
CID 120836597

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine (CID 61231269) is N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is CN(CCOc1ccccc1Cl)C1CC2CCC(C1)N2.
What is the InChIKey of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is GTDYQSDRXBPJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O/c1-19(14-10-12-6-7-13(11-14)18-12)8-9-20-16-5-3-2-4-15(16)17/h2-5,12-14,18H,6-11H2,1H3.
What are the key properties of N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine?
N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 294.83 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)ethyl]-N-methyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61231269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).