2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine

C14H18BrFN2 — CID 54980957

IUPAC2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine
SMILESNCC(c1cc(Br)ccc1F)N1CC2CCC1C2
InChIInChI=1S/C14H18BrFN2/c15-10-2-4-13(16)12(6-10)14(7-17)18-8-9-1-3-11(18)5-9/h2,4,6,9,11,14H,1,3,5,7-8,17H2
InChIKeyLIKGBOCVGSYGNX-UHFFFAOYSA-N
MW313.21 g/mol
LogP3.07
Rot. Bonds3

About 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine

2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine (PubChem CID 54980957) has the molecular formula C14H18BrFN2 and a molecular weight of 313.21 g/mol. Its IUPAC name is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine
PubChem CID54980957
Molecular FormulaC14H18BrFN2
Molecular Weight313.21 g/mol
Exact Mass312.06
IUPAC Name2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine
SMILESNCC(c1cc(Br)ccc1F)N1CC2CCC1C2
InChIInChI=1S/C14H18BrFN2/c15-10-2-4-13(16)12(6-10)14(7-17)18-8-9-1-3-11(18)5-9/h2,4,6,9,11,14H,1,3,5,7-8,17H2
InChIKeyLIKGBOCVGSYGNX-UHFFFAOYSA-N
XLogP3.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.21
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 62135825
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(4-bromo-3-methylphenyl)ethanamine
CID 66474831
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(2,5-dimethylthiophen-3-yl)ethanamine
CID 54980475
2-(5-bromo-2-fluorophenyl)-2-(3-methylpiperidin-1-yl)ethanamine
CID 16784586
2-(5-bromo-2-fluorophenyl)-2-(3-methoxypiperidin-1-yl)ethanamine
CID 102965132
2-(5-bromo-2-fluorophenyl)-2-(4-methylazepan-1-yl)ethanamine
CID 63624974
2-(4-bromo-2-fluorophenyl)-2-(2,3-dimethylpiperidin-1-yl)ethanamine
CID 62123532
(1S)-1-(5-bromo-2-fluorophenyl)ethane-1,2-diamine;hydrochloride
CID 171200599
2-(4-bromo-2-fluorophenyl)-2-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)ethanamine
CID 79927936
(5-bromo-2-fluorophenyl)-cyclopropylmethanamine;hydrochloride
CID 155487191
1-(5-bromo-2-fluorophenyl)-N-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanamine
CID 115998070
2-(4-bromo-2-fluorophenyl)-2-(2-propylpiperidin-1-yl)ethanamine
CID 83052540

Frequently Asked Questions

What is the IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine?
The IUPAC name of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine (CID 54980957) is 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine.
What is the SMILES notation for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine?
The canonical SMILES for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine is NCC(c1cc(Br)ccc1F)N1CC2CCC1C2.
What is the InChIKey of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine?
The InChIKey is LIKGBOCVGSYGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2/c15-10-2-4-13(16)12(6-10)14(7-17)18-8-9-1-3-11(18)5-9/h2,4,6,9,11,14H,1,3,5,7-8,17H2.
What are the key properties of 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine?
2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine has a molecular weight of 313.21 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(5-bromo-2-fluorophenyl)ethanamine is sourced from PubChem (CID 54980957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).