8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C15H20Cl2N2O — CID 61233711

IUPAC8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c16-10-1-4-15(14(17)7-10)20-6-5-19-12-2-3-13(19)9-11(18)8-12/h1,4,7,11-13H,2-3,5-6,8-9,18H2
InChIKeyHWADFUVNAGDFIB-UHFFFAOYSA-N
MW315.24 g/mol
LogP3.33
Rot. Bonds4

About 8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 61233711) has the molecular formula C15H20Cl2N2O and a molecular weight of 315.24 g/mol. Its IUPAC name is 8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID61233711
Molecular FormulaC15H20Cl2N2O
Molecular Weight315.24 g/mol
Exact Mass314.10
IUPAC Name8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESNC1CC2CCC(C1)N2CCOc1ccc(Cl)cc1Cl
InChIInChI=1S/C15H20Cl2N2O/c16-10-1-4-15(14(17)7-10)20-6-5-19-12-2-3-13(19)9-11(18)8-12/h1,4,7,11-13H,2-3,5-6,8-9,18H2
InChIKeyHWADFUVNAGDFIB-UHFFFAOYSA-N
XLogP3.33
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.24
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine with MolForge

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Related Compounds

1-[2-(2,4-dichlorophenoxy)ethyl]-2,6-dimethylpiperazine
CID 63911030
(3R,5R)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893166
(3R,5S)-1-[2-(2,4-dichlorophenoxy)ethyl]-3,5-dimethylpiperidine
CID 893165
4-N-[2-(2,4-dichlorophenoxy)ethyl]-4-N-methylcyclohexane-1,4-diamine
CID 79121912
3-(2,4-dichlorophenoxy)cyclobutan-1-amine
CID 66359762
[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-4-yl] carbamate
CID 91459026
1-cyclopentyl-3-[2-(2,4-dichlorophenoxy)ethyl]imidazolidine-2,4,5-trione
CID 7756232
2-(2,4-dichlorophenoxy)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63762229
8-(5-chloro-2-methoxyphenyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 55106709
6-(2,4-dichlorophenoxy)hexan-1-amine
CID 21467390
2-[1-[2-(2,4-dichlorophenoxy)ethyl]piperidin-2-yl]ethanol
CID 60690332
(3R)-1-[2-(2-bromo-4-chlorophenoxy)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119905237

Frequently Asked Questions

What is the IUPAC name of 8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 61233711) is 8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is NC1CC2CCC(C1)N2CCOc1ccc(Cl)cc1Cl.
What is the InChIKey of 8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is HWADFUVNAGDFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2O/c16-10-1-4-15(14(17)7-10)20-6-5-19-12-2-3-13(19)9-11(18)8-12/h1,4,7,11-13H,2-3,5-6,8-9,18H2.
What are the key properties of 8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 315.24 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-(2,4-dichlorophenoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 61233711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).