3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine

C13H17BrFNO2 — CID 113439779

IUPAC3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(Br)cc2F)C1OC
InChIInChI=1S/C13H17BrFNO2/c1-3-16-10-7-12(13(10)17-2)18-11-5-4-8(14)6-9(11)15/h4-6,10,12-13,16H,3,7H2,1-2H3
InChIKeyVJZYMFCYTBAGJH-UHFFFAOYSA-N
MW318.19 g/mol
LogP2.73
Rot. Bonds5

About 3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine

3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine (PubChem CID 113439779) has the molecular formula C13H17BrFNO2 and a molecular weight of 318.19 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
PubChem CID113439779
Molecular FormulaC13H17BrFNO2
Molecular Weight318.19 g/mol
Exact Mass317.04
IUPAC Name3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
SMILESCCNC1CC(Oc2ccc(Br)cc2F)C1OC
InChIInChI=1S/C13H17BrFNO2/c1-3-16-10-7-12(13(10)17-2)18-11-5-4-8(14)6-9(11)15/h4-6,10,12-13,16H,3,7H2,1-2H3
InChIKeyVJZYMFCYTBAGJH-UHFFFAOYSA-N
XLogP2.73
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676247
3-(4-bromo-2-fluorophenoxy)-2-methoxycyclobutan-1-ol
CID 104673626
N-ethyl-3-(4-fluoro-2-methylphenoxy)-2-methoxycyclobutan-1-amine
CID 113439838
3-(4-bromo-2-fluorophenoxy)-2-ethoxycyclobutan-1-amine
CID 113440006
3-(5-bromo-2-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943889
3-(3,4-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676375
N-ethyl-3-(2-fluoro-5-methylphenoxy)-2-propoxycyclobutan-1-amine
CID 107943730
3-(3-bromo-4-fluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676686
N-ethyl-2-methoxy-3-(4-methylphenoxy)cyclobutan-1-amine
CID 113439757
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497
3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674733
N-ethyl-2-methoxy-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 104674553

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine (CID 113439779) is 3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine is CCNC1CC(Oc2ccc(Br)cc2F)C1OC.
What is the InChIKey of 3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine?
The InChIKey is VJZYMFCYTBAGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrFNO2/c1-3-16-10-7-12(13(10)17-2)18-11-5-4-8(14)6-9(11)15/h4-6,10,12-13,16H,3,7H2,1-2H3.
What are the key properties of 3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine?
3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine has a molecular weight of 318.19 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine is sourced from PubChem (CID 113439779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).