(1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane

C15H20FNO — CID 68674975

IUPAC(1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane
SMILESFc1ccccc1COCC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C15H20FNO/c16-15-4-2-1-3-12(15)10-18-9-11-7-13-5-6-14(8-11)17-13/h1-4,11,13-14,17H,5-10H2/t11?,13-,14+
InChIKeyOOCYUQJSKLNWGR-QXMXGUDHSA-N
MW249.33 g/mol
LogP2.87
Rot. Bonds4

About (1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane

(1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane (PubChem CID 68674975) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is (1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane
PubChem CID68674975
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name(1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane
SMILESFc1ccccc1COCC1C[C@H]2CC[C@@H](C1)N2
InChIInChI=1S/C15H20FNO/c16-15-4-2-1-3-12(15)10-18-9-11-7-13-5-6-14(8-11)17-13/h1-4,11,13-14,17H,5-10H2/t11?,13-,14+
InChIKeyOOCYUQJSKLNWGR-QXMXGUDHSA-N
XLogP2.87
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane (CID 68674975) is (1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane is Fc1ccccc1COCC1C[C@H]2CC[C@@H](C1)N2.
What is the InChIKey of (1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is OOCYUQJSKLNWGR-QXMXGUDHSA-N. The full InChI is InChI=1S/C15H20FNO/c16-15-4-2-1-3-12(15)10-18-9-11-7-13-5-6-14(8-11)17-13/h1-4,11,13-14,17H,5-10H2/t11?,13-,14+.
What are the key properties of (1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 249.33 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-[(2-fluorophenyl)methoxymethyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 68674975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).