2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine

C15H20Cl2N2 — CID 83975293

IUPAC2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine
SMILESNCC(c1c(Cl)cccc1Cl)C1CN2CCC1CC2
InChIInChI=1S/C15H20Cl2N2/c16-13-2-1-3-14(17)15(13)11(8-18)12-9-19-6-4-10(12)5-7-19/h1-3,10-12H,4-9,18H2
InChIKeyDTBUKTZBPDLSJD-UHFFFAOYSA-N
MW299.24 g/mol
LogP3.38
Rot. Bonds3

About 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine

2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine (PubChem CID 83975293) has the molecular formula C15H20Cl2N2 and a molecular weight of 299.24 g/mol. Its IUPAC name is 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine.

Molecular Properties

Compound Name2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine
PubChem CID83975293
Molecular FormulaC15H20Cl2N2
Molecular Weight299.24 g/mol
Exact Mass298.10
IUPAC Name2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine
SMILESNCC(c1c(Cl)cccc1Cl)C1CN2CCC1CC2
InChIInChI=1S/C15H20Cl2N2/c16-13-2-1-3-14(17)15(13)11(8-18)12-9-19-6-4-10(12)5-7-19/h1-3,10-12H,4-9,18H2
InChIKeyDTBUKTZBPDLSJD-UHFFFAOYSA-N
XLogP3.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.24
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(3,4-dimethylphenyl)ethanamine
CID 83972707
2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(1-methylbenzimidazol-2-yl)ethanamine
CID 83976100
2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
CID 66391497
2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(2-chloro-6-fluorophenyl)ethanamine
CID 115559256
2-(2,6-dichlorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965160
2-(2,6-dichlorophenyl)-2-(2-ethylpyrrolidin-1-yl)ethanamine
CID 54882963
N-[(2-chlorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine;dihydrochloride
CID 17158962
3-amino-2-(2-chloro-6-fluorophenyl)-1-cyclopropylpropan-1-ol
CID 65186484
2-(2,6-dichlorophenyl)-2-(4-propan-2-ylpiperazin-1-yl)ethanamine
CID 43585100
(1R)-1-(2,6-dichlorophenyl)ethane-1,2-diamine;hydrochloride
CID 171217423
2-(2,6-dichlorophenyl)-2-(2-ethylazepan-1-yl)ethanamine
CID 104689325
(3S)-N-[(2-chloro-6-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 834291

Frequently Asked Questions

What is the IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine?
The IUPAC name of 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine (CID 83975293) is 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine.
What is the SMILES notation for 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine?
The canonical SMILES for 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine is NCC(c1c(Cl)cccc1Cl)C1CN2CCC1CC2.
What is the InChIKey of 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine?
The InChIKey is DTBUKTZBPDLSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2N2/c16-13-2-1-3-14(17)15(13)11(8-18)12-9-19-6-4-10(12)5-7-19/h1-3,10-12H,4-9,18H2.
What are the key properties of 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine?
2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine has a molecular weight of 299.24 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-azabicyclo[2.2.2]octan-3-yl)-2-(2,6-dichlorophenyl)ethanamine is sourced from PubChem (CID 83975293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).