2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine

C13H17BrFNO — CID 103274512

IUPAC2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine
SMILESCNCCC1(Oc2cc(Br)ccc2F)CCC1
InChIInChI=1S/C13H17BrFNO/c1-16-8-7-13(5-2-6-13)17-12-9-10(14)3-4-11(12)15/h3-4,9,16H,2,5-8H2,1H3
InChIKeyGVRMYTJFDWZXEG-UHFFFAOYSA-N
MW302.19 g/mol
LogP3.50
Rot. Bonds5

About 2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine

2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine (PubChem CID 103274512) has the molecular formula C13H17BrFNO and a molecular weight of 302.19 g/mol. Its IUPAC name is 2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine.

Molecular Properties

Compound Name2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine
PubChem CID103274512
Molecular FormulaC13H17BrFNO
Molecular Weight302.19 g/mol
Exact Mass301.05
IUPAC Name2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine
SMILESCNCCC1(Oc2cc(Br)ccc2F)CCC1
InChIInChI=1S/C13H17BrFNO/c1-16-8-7-13(5-2-6-13)17-12-9-10(14)3-4-11(12)15/h3-4,9,16H,2,5-8H2,1H3
InChIKeyGVRMYTJFDWZXEG-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2-fluorophenoxy)cyclobutyl]-N-methylethanamine
CID 103273573
2-[1-(2-bromo-4-methylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273796
N-[2-[1-(5-bromo-2-methylphenoxy)cyclobutyl]ethyl]propan-2-amine
CID 107285808
2-[1-(2,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273603
2-[1-(4-bromo-2-fluorophenoxy)cyclobutyl]ethanamine
CID 103273829
2-[1-(4-bromo-3,5-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 107726464
2-[1-(3,4-dimethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273611
2-[1-(2-ethylphenoxy)cyclobutyl]-N-methylethanamine
CID 103273871
N-methyl-2-[1-(4-methylsulfanylphenoxy)cyclobutyl]ethanamine
CID 103274071
N-[2-[1-(3-bromo-4-fluorophenoxy)cyclobutyl]ethyl]cyclopropanamine
CID 103274410
N-[2-[1-(2-bromo-4-methoxyphenoxy)cyclobutyl]ethyl]-2-methylpropan-2-amine
CID 103274444
N'-[2-(5-bromo-2-fluorophenyl)ethyl]-N-methylethane-1,2-diamine
CID 115196046

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine?
The IUPAC name of 2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine (CID 103274512) is 2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine.
What is the SMILES notation for 2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine?
The canonical SMILES for 2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine is CNCCC1(Oc2cc(Br)ccc2F)CCC1.
What is the InChIKey of 2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine?
The InChIKey is GVRMYTJFDWZXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO/c1-16-8-7-13(5-2-6-13)17-12-9-10(14)3-4-11(12)15/h3-4,9,16H,2,5-8H2,1H3.
What are the key properties of 2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine?
2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine has a molecular weight of 302.19 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-bromo-2-fluorophenoxy)cyclobutyl]-N-methylethanamine is sourced from PubChem (CID 103274512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).