(1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane

C13H17NO — CID 53318218

IUPAC(1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane
SMILESc1ccc(OC2C[C@H]3CC[C@@H](C2)N3)cc1
InChIInChI=1S/C13H17NO/c1-2-4-12(5-3-1)15-13-8-10-6-7-11(9-13)14-10/h1-5,10-11,13-14H,6-9H2/t10-,11+,13?
InChIKeyHQWOOKZKFBMBCD-QYJAPNMZSA-N
MW203.29 g/mol
LogP2.35
Rot. Bonds2

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

(1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane (PubChem CID 53318218) has the molecular formula C13H17NO and a molecular weight of 203.29 g/mol. Its IUPAC name is (1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name(1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane
PubChem CID53318218
Molecular FormulaC13H17NO
Molecular Weight203.29 g/mol
Exact Mass203.13
IUPAC Name(1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane
SMILESc1ccc(OC2C[C@H]3CC[C@@H](C2)N3)cc1
InChIInChI=1S/C13H17NO/c1-2-4-12(5-3-1)15-13-8-10-6-7-11(9-13)14-10/h1-5,10-11,13-14H,6-9H2/t10-,11+,13?
InChIKeyHQWOOKZKFBMBCD-QYJAPNMZSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane?
The IUPAC name of (1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane (CID 53318218) is (1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for (1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane?
The canonical SMILES for (1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane is c1ccc(OC2C[C@H]3CC[C@@H](C2)N3)cc1.
What is the InChIKey of (1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane?
The InChIKey is HQWOOKZKFBMBCD-QYJAPNMZSA-N. The full InChI is InChI=1S/C13H17NO/c1-2-4-12(5-3-1)15-13-8-10-6-7-11(9-13)14-10/h1-5,10-11,13-14H,6-9H2/t10-,11+,13?.
What are the key properties of (1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane?
(1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane has a molecular weight of 203.29 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-phenoxy-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 53318218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).