4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine

C13H23BrN2O — CID 80669048

IUPAC4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine
SMILESBrC1CC2CCC(C1)N2CCN1CCOCC1
InChIInChI=1S/C13H23BrN2O/c14-11-9-12-1-2-13(10-11)16(12)4-3-15-5-7-17-8-6-15/h11-13H,1-10H2
InChIKeyLABPNVNDODIBFU-UHFFFAOYSA-N
MW303.24 g/mol
LogP1.71
Rot. Bonds3

About 4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine

4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine (PubChem CID 80669048) has the molecular formula C13H23BrN2O and a molecular weight of 303.24 g/mol. Its IUPAC name is 4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine
PubChem CID80669048
Molecular FormulaC13H23BrN2O
Molecular Weight303.24 g/mol
Exact Mass302.10
IUPAC Name4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine
SMILESBrC1CC2CCC(C1)N2CCN1CCOCC1
InChIInChI=1S/C13H23BrN2O/c14-11-9-12-1-2-13(10-11)16(12)4-3-15-5-7-17-8-6-15/h11-13H,1-10H2
InChIKeyLABPNVNDODIBFU-UHFFFAOYSA-N
XLogP1.71
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.24
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[2-[4-(bromomethyl)piperidin-1-yl]ethyl]morpholine
CID 80675433
N-methyl-9-(3-morpholin-4-ylpropyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 62712744
4-(8-ethyl-8-azabicyclo[3.2.1]octan-3-yl)morpholine
CID 71229178
(2R,3R,4R,5R)-2,5-bis(hydroxymethyl)-1-(2-morpholin-4-ylethyl)pyrrolidine-3,4-diol
CID 46199753
2-bromo-N-methyl-N-(2-morpholin-4-ylethyl)cyclohexan-1-amine
CID 102637303
4-(3-bromopropyl)morpholine
CID 13034048
4-(2-bromoethyl)morpholine;hydron;chloride
CID 137370689
N-methyl-1-(2-morpholin-4-ylethyl)piperidin-4-amine
CID 60819990
[1-(2-morpholin-4-ylethyl)piperidin-4-yl]methanol
CID 54080163
3-chloro-8-[4-(oxan-4-yl)butyl]-8-azabicyclo[3.2.1]octane
CID 114192643
N-methyl-8-(2-thiomorpholin-4-ylethyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 114173962
4-[2-(4-methylpiperazin-1-yl)ethyl]morpholine
CID 20719664

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine (CID 80669048) is 4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine is BrC1CC2CCC(C1)N2CCN1CCOCC1.
What is the InChIKey of 4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine?
The InChIKey is LABPNVNDODIBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2O/c14-11-9-12-1-2-13(10-11)16(12)4-3-15-5-7-17-8-6-15/h11-13H,1-10H2.
What are the key properties of 4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine?
4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine has a molecular weight of 303.24 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)ethyl]morpholine is sourced from PubChem (CID 80669048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).