2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine

C13H17BrFN — CID 62600408

IUPAC2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C13H17BrFN/c1-2-16-13(9-3-4-9)8-10-7-11(14)5-6-12(10)15/h5-7,9,13,16H,2-4,8H2,1H3
InChIKeyMNJQRBNLZDIHLW-UHFFFAOYSA-N
MW286.19 g/mol
LogP3.52
Rot. Bonds5

About 2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine

2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine (PubChem CID 62600408) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
PubChem CID62600408
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine
SMILESCCNC(Cc1cc(Br)ccc1F)C1CC1
InChIInChI=1S/C13H17BrFN/c1-2-16-13(9-3-4-9)8-10-7-11(14)5-6-12(10)15/h5-7,9,13,16H,2-4,8H2,1H3
InChIKeyMNJQRBNLZDIHLW-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65391044
1-(5-bromo-2-fluorophenyl)-3-cycloheptyl-N-ethylpropan-2-amine
CID 115839556
2-(4-bromo-2-fluorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105137148
2-(2,5-difluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 65390250
2-(5-bromo-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-methylethanamine
CID 65392217
2-(5-chloro-2-fluorophenyl)-1-(4,4-dimethylcyclohexyl)-N-ethylethanamine
CID 103048770
4-(5-bromo-2-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 60995995
1-(4,4-difluorocyclohexyl)-2-(2,5-difluorophenyl)-N-ethylethanamine
CID 105105078
2-(5-bromo-2-fluorophenyl)-N-ethyl-1-(2-fluorophenyl)ethanamine
CID 63418096
[2-(5-bromo-2-fluorophenyl)-1-(3-methylcyclopentyl)ethyl]hydrazine
CID 105233180
2-(4-bromo-2-chlorophenyl)-1-(4,4-difluorocyclohexyl)-N-ethylethanamine
CID 105181702
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine (CID 62600408) is 2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine is CCNC(Cc1cc(Br)ccc1F)C1CC1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine?
The InChIKey is MNJQRBNLZDIHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-2-16-13(9-3-4-9)8-10-7-11(14)5-6-12(10)15/h5-7,9,13,16H,2-4,8H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine?
2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine has a molecular weight of 286.19 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-cyclopropyl-N-ethylethanamine is sourced from PubChem (CID 62600408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).