3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine

C15H21BrFNO2 — CID 104676247

IUPAC3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(Br)cc2F)C1OCC
InChIInChI=1S/C15H21BrFNO2/c1-3-7-18-12-9-14(15(12)19-4-2)20-13-6-5-10(16)8-11(13)17/h5-6,8,12,14-15,18H,3-4,7,9H2,1-2H3
InChIKeySYKJYFNRIYZQBQ-UHFFFAOYSA-N
MW346.24 g/mol
LogP3.51
Rot. Bonds7

About 3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine

3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine (PubChem CID 104676247) has the molecular formula C15H21BrFNO2 and a molecular weight of 346.24 g/mol. Its IUPAC name is 3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
PubChem CID104676247
Molecular FormulaC15H21BrFNO2
Molecular Weight346.24 g/mol
Exact Mass345.07
IUPAC Name3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(Br)cc2F)C1OCC
InChIInChI=1S/C15H21BrFNO2/c1-3-7-18-12-9-14(15(12)19-4-2)20-13-6-5-10(16)8-11(13)17/h5-6,8,12,14-15,18H,3-4,7,9H2,1-2H3
InChIKeySYKJYFNRIYZQBQ-UHFFFAOYSA-N
XLogP3.51
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676536
3-(5-bromo-2-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943889
3-(4-bromo-2-fluorophenoxy)-N-ethyl-2-methoxycyclobutan-1-amine
CID 113439779
3-(4-bromo-2-fluorophenoxy)-2-ethoxycyclobutan-1-amine
CID 113440006
3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675985
3-(2-bromo-4-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943309
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341
3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675988
3-(4-bromo-2-fluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66358022
2-ethoxy-3-[(2-fluorophenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104676522
3-(3-bromo-4-fluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676686
3-(2,3-difluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676497

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine (CID 104676247) is 3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(Br)cc2F)C1OCC.
What is the InChIKey of 3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
The InChIKey is SYKJYFNRIYZQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrFNO2/c1-3-7-18-12-9-14(15(12)19-4-2)20-13-6-5-10(16)8-11(13)17/h5-6,8,12,14-15,18H,3-4,7,9H2,1-2H3.
What are the key properties of 3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine has a molecular weight of 346.24 g/mol, XLogP of 3.51, 7 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)-2-ethoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104676247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).