3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane

C19H20ClNO — CID 66881018

IUPAC3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane
SMILESClc1cccc(-c2cccc(OC3CC4CCC(C3)N4)c2)c1
InChIInChI=1S/C19H20ClNO/c20-15-5-1-3-13(9-15)14-4-2-6-18(10-14)22-19-11-16-7-8-17(12-19)21-16/h1-6,9-10,16-17,19,21H,7-8,11-12H2
InChIKeyGDAAPKAOOKVZFZ-UHFFFAOYSA-N
MW313.83 g/mol
LogP4.67
Rot. Bonds3

About 3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane

3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane (PubChem CID 66881018) has the molecular formula C19H20ClNO and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane
PubChem CID66881018
Molecular FormulaC19H20ClNO
Molecular Weight313.83 g/mol
Exact Mass313.12
IUPAC Name3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane
SMILESClc1cccc(-c2cccc(OC3CC4CCC(C3)N4)c2)c1
InChIInChI=1S/C19H20ClNO/c20-15-5-1-3-13(9-15)14-4-2-6-18(10-14)22-19-11-16-7-8-17(12-19)21-16/h1-6,9-10,16-17,19,21H,7-8,11-12H2
InChIKeyGDAAPKAOOKVZFZ-UHFFFAOYSA-N
XLogP4.67
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane (CID 66881018) is 3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane is Clc1cccc(-c2cccc(OC3CC4CCC(C3)N4)c2)c1.
What is the InChIKey of 3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane?
The InChIKey is GDAAPKAOOKVZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO/c20-15-5-1-3-13(9-15)14-4-2-6-18(10-14)22-19-11-16-7-8-17(12-19)21-16/h1-6,9-10,16-17,19,21H,7-8,11-12H2.
What are the key properties of 3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane?
3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane has a molecular weight of 313.83 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-chlorophenyl)phenoxy]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 66881018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).