N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine

C13H17BrFN — CID 115732717

IUPACN-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCc2ccc(F)cc2Br)CCC1
InChIInChI=1S/C13H17BrFN/c1-2-13(6-3-7-13)16-9-10-4-5-11(15)8-12(10)14/h4-5,8,16H,2-3,6-7,9H2,1H3
InChIKeyCSXXZRNUELSTOS-UHFFFAOYSA-N
MW286.19 g/mol
LogP4.01
Rot. Bonds4

About N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine

N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine (PubChem CID 115732717) has the molecular formula C13H17BrFN and a molecular weight of 286.19 g/mol. Its IUPAC name is N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine
PubChem CID115732717
Molecular FormulaC13H17BrFN
Molecular Weight286.19 g/mol
Exact Mass285.05
IUPAC NameN-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine
SMILESCCC1(NCc2ccc(F)cc2Br)CCC1
InChIInChI=1S/C13H17BrFN/c1-2-13(6-3-7-13)16-9-10-4-5-11(15)8-12(10)14/h4-5,8,16H,2-3,6-7,9H2,1H3
InChIKeyCSXXZRNUELSTOS-UHFFFAOYSA-N
XLogP4.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.19
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[1-[(2-bromo-4-fluorophenyl)methylamino]-3-methylcyclohexyl]methanol
CID 62553023
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclobutyl]methyl]ethanamine
CID 65194197
N-[(2-bromo-4-fluorophenyl)methyl]pentan-1-amine
CID 28569077
1-(2-bromo-4-fluorophenyl)-N-[[1-(chloromethyl)cyclopropyl]methyl]methanamine
CID 115455628
1-(chloromethyl)-N-[(4-fluoro-2-methylphenyl)methyl]cyclopentan-1-amine
CID 114349116
N-[(3-bromo-4-methylphenyl)methyl]-1-ethylcyclobutan-1-amine
CID 105401701
N-[(2-bromo-4-fluorophenyl)methyl]-2,3-dimethylbutan-1-amine
CID 64568536
1-[(2-bromo-4-fluorophenyl)methyl]-3-methylcyclopentan-1-amine
CID 64514094
N-[(2-bromo-4-fluorophenyl)methyl]-1-chloro-2-(chloromethyl)butan-2-amine
CID 107867058
2-[(2-bromo-4-fluorophenyl)methylamino]ethanol
CID 43416404
4-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-2,6-difluoroaniline
CID 65469956
N-[[1-[(2-bromo-4-fluorophenyl)methyl]cyclopropyl]methyl]-2-methylpropan-1-amine
CID 66026264

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine?
The IUPAC name of N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine (CID 115732717) is N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine.
What is the SMILES notation for N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine?
The canonical SMILES for N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine is CCC1(NCc2ccc(F)cc2Br)CCC1.
What is the InChIKey of N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine?
The InChIKey is CSXXZRNUELSTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFN/c1-2-13(6-3-7-13)16-9-10-4-5-11(15)8-12(10)14/h4-5,8,16H,2-3,6-7,9H2,1H3.
What are the key properties of N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine?
N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine has a molecular weight of 286.19 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4-fluorophenyl)methyl]-1-ethylcyclobutan-1-amine is sourced from PubChem (CID 115732717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).