(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone

C15H19BrN2O2 — CID 61235332

IUPAC(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(N)C3)cc1Br
InChIInChI=1S/C15H19BrN2O2/c1-20-14-5-2-9(6-13(14)16)15(19)18-11-3-4-12(18)8-10(17)7-11/h2,5-6,10-12H,3-4,7-8,17H2,1H3
InChIKeyOSDUGIXGTGOHCJ-UHFFFAOYSA-N
MW339.23 g/mol
LogP2.55
Rot. Bonds2

About (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone

(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone (PubChem CID 61235332) has the molecular formula C15H19BrN2O2 and a molecular weight of 339.23 g/mol. Its IUPAC name is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone
PubChem CID61235332
Molecular FormulaC15H19BrN2O2
Molecular Weight339.23 g/mol
Exact Mass338.06
IUPAC Name(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2C3CCC2CC(N)C3)cc1Br
InChIInChI=1S/C15H19BrN2O2/c1-20-14-5-2-9(6-13(14)16)15(19)18-11-3-4-12(18)8-10(17)7-11/h2,5-6,10-12H,3-4,7-8,17H2,1H3
InChIKeyOSDUGIXGTGOHCJ-UHFFFAOYSA-N
XLogP2.55
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.23
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone with MolForge

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Related Compounds

(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-fluorophenyl)methanone
CID 107956055
(3-bromo-4-methoxyphenyl)-[(2S,6R)-2,6-dimethylpiperidin-1-yl]methanone
CID 93460391
(3-bromo-4-methoxyphenyl)-(2,6-dimethylpiperazin-1-yl)methanone
CID 63909204
(3-bromo-4-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 60660628
(3-bromo-4-methoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61226218
(4-fluoro-3-methoxyphenyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 81002135
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-propan-2-yloxyphenyl)methanone
CID 62921355
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65435012
1-(3-bromo-4-methoxyphenyl)-2-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 63764057
1-[4-(3-bromo-4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 51218725
N-(2-aminocyclopropyl)-3-bromo-4-methoxybenzamide
CID 61033826
(3-bromo-4-methoxyphenyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 113348315

Frequently Asked Questions

What is the IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone?
The IUPAC name of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone (CID 61235332) is (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone.
What is the SMILES notation for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone?
The canonical SMILES for (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone is COc1ccc(C(=O)N2C3CCC2CC(N)C3)cc1Br.
What is the InChIKey of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone?
The InChIKey is OSDUGIXGTGOHCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O2/c1-20-14-5-2-9(6-13(14)16)15(19)18-11-3-4-12(18)8-10(17)7-11/h2,5-6,10-12H,3-4,7-8,17H2,1H3.
What are the key properties of (3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone?
(3-amino-8-azabicyclo[3.2.1]octan-8-yl)-(3-bromo-4-methoxyphenyl)methanone has a molecular weight of 339.23 g/mol, XLogP of 2.55, 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)-(3-bromo-4-methoxyphenyl)methanone is sourced from PubChem (CID 61235332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).