1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine

C14H19BrFN — CID 114887295

IUPAC1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
SMILESCCNC(CC1CCC1)c1c(F)cccc1Br
InChIInChI=1S/C14H19BrFN/c1-2-17-13(9-10-5-3-6-10)14-11(15)7-4-8-12(14)16/h4,7-8,10,13,17H,2-3,5-6,9H2,1H3
InChIKeyVXSYEZUNLQGSGV-UHFFFAOYSA-N
MW300.21 g/mol
LogP4.43
Rot. Bonds5

About 1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine

1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine (PubChem CID 114887295) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine.

Molecular Properties

Compound Name1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
PubChem CID114887295
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
SMILESCCNC(CC1CCC1)c1c(F)cccc1Br
InChIInChI=1S/C14H19BrFN/c1-2-17-13(9-10-5-3-6-10)14-11(15)7-4-8-12(14)16/h4,7-8,10,13,17H,2-3,5-6,9H2,1H3
InChIKeyVXSYEZUNLQGSGV-UHFFFAOYSA-N
XLogP4.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.21
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-chloro-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine
CID 115863424
N-[(2-bromo-6-fluorophenyl)-cyclobutylmethyl]ethanamine
CID 114887135
N-[2-cyclobutyl-1-(2,6-difluorophenyl)ethyl]propan-1-amine
CID 79522643
N-[1-(2-bromo-6-fluorophenyl)-2-(oxan-4-yl)ethyl]propan-1-amine
CID 114887332
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(2-bromo-6-fluorophenyl)-N-ethylethanamine
CID 114887289
1-(2-bromo-6-fluorophenyl)-N-ethyl-2-methoxyethanamine
CID 114887178
2-cyclohexyl-1-(2,6-dichlorophenyl)-N-ethylethanamine
CID 115841954
1-(2-bromo-6-fluorophenyl)-N-ethylbut-3-yn-1-amine
CID 114887283
1-(2-bromo-3-fluorophenyl)-N-ethyl-2-(oxan-4-yl)ethanamine
CID 115847099
1-(2-bromo-6-fluorophenyl)-2-(2,3-difluorophenyl)-N-ethylethanamine
CID 114559964
2-cyclopropyl-1-(2,6-difluoro-3-methylphenyl)-N-ethylethanamine
CID 82823061
1-(2-bromo-4-fluorophenyl)-2-cyclopentyl-N-ethylethanamine
CID 115847237

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine?
The IUPAC name of 1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine (CID 114887295) is 1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine.
What is the SMILES notation for 1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine?
The canonical SMILES for 1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine is CCNC(CC1CCC1)c1c(F)cccc1Br.
What is the InChIKey of 1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine?
The InChIKey is VXSYEZUNLQGSGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-2-17-13(9-10-5-3-6-10)14-11(15)7-4-8-12(14)16/h4,7-8,10,13,17H,2-3,5-6,9H2,1H3.
What are the key properties of 1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine?
1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine has a molecular weight of 300.21 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-6-fluorophenyl)-2-cyclobutyl-N-ethylethanamine is sourced from PubChem (CID 114887295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).