(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone

C15H19FN2O2 — CID 65435012

IUPAC(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)N1C2CCC1CC(N)C2
InChIInChI=1S/C15H19FN2O2/c1-20-13-4-2-3-12(16)14(13)15(19)18-10-5-6-11(18)8-9(17)7-10/h2-4,9-11H,5-8,17H2,1H3
InChIKeyIZHVIDQBZHQSEL-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.93
Rot. Bonds2

About (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone

(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone (PubChem CID 65435012) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone
PubChem CID65435012
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone
SMILESCOc1cccc(F)c1C(=O)N1C2CCC1CC(N)C2
InChIInChI=1S/C15H19FN2O2/c1-20-13-4-2-3-12(16)14(13)15(19)18-10-5-6-11(18)8-9(17)7-10/h2-4,9-11H,5-8,17H2,1H3
InChIKeyIZHVIDQBZHQSEL-UHFFFAOYSA-N
XLogP1.93
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone?
The IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone (CID 65435012) is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone is COc1cccc(F)c1C(=O)N1C2CCC1CC(N)C2.
What is the InChIKey of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone?
The InChIKey is IZHVIDQBZHQSEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c1-20-13-4-2-3-12(16)14(13)15(19)18-10-5-6-11(18)8-9(17)7-10/h2-4,9-11H,5-8,17H2,1H3.
What are the key properties of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone?
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone has a molecular weight of 278.33 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone is sourced from PubChem (CID 65435012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).