2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine

C14H18Cl2N2O — CID 66391497

IUPAC2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESNCC(c1c(Cl)cccc1Cl)N1CC2CCC(C1)O2
InChIInChI=1S/C14H18Cl2N2O/c15-11-2-1-3-12(16)14(11)13(6-17)18-7-9-4-5-10(8-18)19-9/h1-3,9-10,13H,4-8,17H2
InChIKeyUAMLTXOPAINBSH-UHFFFAOYSA-N
MW301.22 g/mol
LogP2.86
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine

2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine (PubChem CID 66391497) has the molecular formula C14H18Cl2N2O and a molecular weight of 301.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
PubChem CID66391497
Molecular FormulaC14H18Cl2N2O
Molecular Weight301.22 g/mol
Exact Mass300.08
IUPAC Name2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine
SMILESNCC(c1c(Cl)cccc1Cl)N1CC2CCC(C1)O2
InChIInChI=1S/C14H18Cl2N2O/c15-11-2-1-3-12(16)14(11)13(6-17)18-7-9-4-5-10(8-18)19-9/h1-3,9-10,13H,4-8,17H2
InChIKeyUAMLTXOPAINBSH-UHFFFAOYSA-N
XLogP2.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine (CID 66391497) is 2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine is NCC(c1c(Cl)cccc1Cl)N1CC2CCC(C1)O2.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
The InChIKey is UAMLTXOPAINBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2N2O/c15-11-2-1-3-12(16)14(11)13(6-17)18-7-9-4-5-10(8-18)19-9/h1-3,9-10,13H,4-8,17H2.
What are the key properties of 2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine?
2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine has a molecular weight of 301.22 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethanamine is sourced from PubChem (CID 66391497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).