8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

C15H20BrFN2 — CID 55107195

IUPAC8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1ccc(F)cc1Br
InChIInChI=1S/C15H20BrFN2/c1-2-18-11-8-12-4-5-13(9-11)19(12)15-6-3-10(17)7-14(15)16/h3,6-7,11-13,18H,2,4-5,8-9H2,1H3
InChIKeyCVLQRBPLSXQTFZ-UHFFFAOYSA-N
MW327.24 g/mol
LogP3.70
Rot. Bonds3

About 8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine

8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 55107195) has the molecular formula C15H20BrFN2 and a molecular weight of 327.24 g/mol. Its IUPAC name is 8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID55107195
Molecular FormulaC15H20BrFN2
Molecular Weight327.24 g/mol
Exact Mass326.08
IUPAC Name8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCNC1CC2CCC(C1)N2c1ccc(F)cc1Br
InChIInChI=1S/C15H20BrFN2/c1-2-18-11-8-12-4-5-13(9-11)19(12)15-6-3-10(17)7-14(15)16/h3,6-7,11-13,18H,2,4-5,8-9H2,1H3
InChIKeyCVLQRBPLSXQTFZ-UHFFFAOYSA-N
XLogP3.70
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.24
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine (CID 55107195) is 8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is CCNC1CC2CCC(C1)N2c1ccc(F)cc1Br.
What is the InChIKey of 8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CVLQRBPLSXQTFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrFN2/c1-2-18-11-8-12-4-5-13(9-11)19(12)15-6-3-10(17)7-14(15)16/h3,6-7,11-13,18H,2,4-5,8-9H2,1H3.
What are the key properties of 8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 327.24 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-bromo-4-fluorophenyl)-N-ethyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 55107195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).