2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine

C14H19BrFN — CID 64986283

IUPAC2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)C1CCC1
InChIInChI=1S/C14H19BrFN/c1-2-17-14(10-4-3-5-10)8-11-6-7-12(16)9-13(11)15/h6-7,9-10,14,17H,2-5,8H2,1H3
InChIKeyWABXKQOLIDMGEB-UHFFFAOYSA-N
MW300.21 g/mol
LogP3.91
Rot. Bonds5

About 2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine

2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine (PubChem CID 64986283) has the molecular formula C14H19BrFN and a molecular weight of 300.21 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
PubChem CID64986283
Molecular FormulaC14H19BrFN
Molecular Weight300.21 g/mol
Exact Mass299.07
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine
SMILESCCNC(Cc1ccc(F)cc1Br)C1CCC1
InChIInChI=1S/C14H19BrFN/c1-2-17-14(10-4-3-5-10)8-11-6-7-12(16)9-13(11)15/h6-7,9-10,14,17H,2-5,8H2,1H3
InChIKeyWABXKQOLIDMGEB-UHFFFAOYSA-N
XLogP3.91
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 ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-bromo-4-fluorophenyl)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 65329971
1-cyclohexyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373724
1-cyclooctyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105374209
2-(2-bromo-4-fluorophenyl)-1-(3-ethylcyclohexyl)-N-methylethanamine
CID 65413527
2-(2-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-ylcyclohexyl)ethanamine
CID 65424573
1-cyclopentyl-N-ethyl-3-(4-fluoro-2-methylphenyl)propan-1-amine
CID 114346516
1-cyclopropyl-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105373730
N-ethyl-1-(3-ethylcyclohexyl)-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114348004
1-(4,4-dimethylcyclohexyl)-N-ethyl-2-(4-fluoro-2-methylphenyl)ethanamine
CID 114347992
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(2-bromo-4-fluorophenyl)-N-ethylethanamine
CID 64984556
1-cyclooctyl-N-ethyl-2-(4-fluorophenyl)ethanamine
CID 65018192
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 62600953

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine (CID 64986283) is 2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine is CCNC(Cc1ccc(F)cc1Br)C1CCC1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine?
The InChIKey is WABXKQOLIDMGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrFN/c1-2-17-14(10-4-3-5-10)8-11-6-7-12(16)9-13(11)15/h6-7,9-10,14,17H,2-5,8H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine?
2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine has a molecular weight of 300.21 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-fluorophenyl)-1-cyclobutyl-N-ethylethanamine is sourced from PubChem (CID 64986283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).