3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane

C10H18ClNO — CID 63763641

IUPAC3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane
SMILESCOCCN1C2CCC1CC(Cl)C2
InChIInChI=1S/C10H18ClNO/c1-13-5-4-12-9-2-3-10(12)7-8(11)6-9/h8-10H,2-7H2,1H3
InChIKeyIANFHYBRUTVIES-UHFFFAOYSA-N
MW203.71 g/mol
LogP1.87
Rot. Bonds3

About 3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane

3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane (PubChem CID 63763641) has the molecular formula C10H18ClNO and a molecular weight of 203.71 g/mol. Its IUPAC name is 3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane
PubChem CID63763641
Molecular FormulaC10H18ClNO
Molecular Weight203.71 g/mol
Exact Mass203.11
IUPAC Name3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane
SMILESCOCCN1C2CCC1CC(Cl)C2
InChIInChI=1S/C10H18ClNO/c1-13-5-4-12-9-2-3-10(12)7-8(11)6-9/h8-10H,2-7H2,1H3
InChIKeyIANFHYBRUTVIES-UHFFFAOYSA-N
XLogP1.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.71
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane (CID 63763641) is 3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane is COCCN1C2CCC1CC(Cl)C2.
What is the InChIKey of 3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane?
The InChIKey is IANFHYBRUTVIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClNO/c1-13-5-4-12-9-2-3-10(12)7-8(11)6-9/h8-10H,2-7H2,1H3.
What are the key properties of 3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane?
3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane has a molecular weight of 203.71 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-(2-methoxyethyl)-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 63763641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).