2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine

C12H15BrFNO — CID 103273829

IUPAC2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine
SMILESNCCC1(Oc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C12H15BrFNO/c13-9-2-3-11(10(14)8-9)16-12(6-7-15)4-1-5-12/h2-3,8H,1,4-7,15H2
InChIKeyYOJGPXSICBZHSD-UHFFFAOYSA-N
MW288.16 g/mol
LogP3.24
Rot. Bonds4

About 2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine

2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine (PubChem CID 103273829) has the molecular formula C12H15BrFNO and a molecular weight of 288.16 g/mol. Its IUPAC name is 2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine
PubChem CID103273829
Molecular FormulaC12H15BrFNO
Molecular Weight288.16 g/mol
Exact Mass287.03
IUPAC Name2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine
SMILESNCCC1(Oc2ccc(Br)cc2F)CCC1
InChIInChI=1S/C12H15BrFNO/c13-9-2-3-11(10(14)8-9)16-12(6-7-15)4-1-5-12/h2-3,8H,1,4-7,15H2
InChIKeyYOJGPXSICBZHSD-UHFFFAOYSA-N
XLogP3.24
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.16
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103274512
2-[1-[(4-bromophenyl)methoxy]cyclobutyl]ethanamine
CID 103274368
[4-bromo-2-(4-bromo-2-fluorophenoxy)phenyl]methanamine
CID 43365001
2-[4-(4-bromo-2-fluorophenoxy)-3-fluorophenyl]ethanamine
CID 55238749
2-[1-(5-methyl-2-propan-2-ylphenoxy)cyclobutyl]ethanamine
CID 103273552
O-[2-(4-bromo-2-fluorophenoxy)ethyl]hydroxylamine
CID 83396466
2-[1-(2,4-dibromophenoxy)cyclobutyl]acetic acid
CID 103272583
N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 107285808
[1-(2,4-difluorophenoxy)cyclohexyl]methanol
CID 82130117
2-[2-(4-bromo-2-fluorophenoxy)-5-chlorophenyl]ethanamine
CID 114862686
2-[1-(2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103273573
[5-[(4-bromo-2-fluorophenoxy)methyl]thiophen-2-yl]methanamine
CID 107558707

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine?
The IUPAC name of 2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine (CID 103273829) is 2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine.
What is the SMILES notation for 2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine?
The canonical SMILES for 2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine is NCCC1(Oc2ccc(Br)cc2F)CCC1.
What is the InChIKey of 2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine?
The InChIKey is YOJGPXSICBZHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO/c13-9-2-3-11(10(14)8-9)16-12(6-7-15)4-1-5-12/h2-3,8H,1,4-7,15H2.
What are the key properties of 2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine?
2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine has a molecular weight of 288.16 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine is sourced from PubChem (CID 103273829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).