3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine

C15H22BrNO2 — CID 104675985

IUPAC3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(Br)cc2)C1OCC
InChIInChI=1S/C15H22BrNO2/c1-3-9-17-13-10-14(15(13)18-4-2)19-12-7-5-11(16)6-8-12/h5-8,13-15,17H,3-4,9-10H2,1-2H3
InChIKeyVJPURRNQYORRIL-UHFFFAOYSA-N
MW328.25 g/mol
LogP3.37
Rot. Bonds7

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

3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine (PubChem CID 104675985) has the molecular formula C15H22BrNO2 and a molecular weight of 328.25 g/mol. Its IUPAC name is 3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
PubChem CID104675985
Molecular FormulaC15H22BrNO2
Molecular Weight328.25 g/mol
Exact Mass327.08
IUPAC Name3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2ccc(Br)cc2)C1OCC
InChIInChI=1S/C15H22BrNO2/c1-3-9-17-13-10-14(15(13)18-4-2)19-12-7-5-11(16)6-8-12/h5-8,13-15,17H,3-4,9-10H2,1-2H3
InChIKeyVJPURRNQYORRIL-UHFFFAOYSA-N
XLogP3.37
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.25
LogP ≤ 53.37
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-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676247
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675988
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341
3-(4-bromo-3-methylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104675018
3-(3-bromo-4-fluorophenoxy)-2-ethoxy-N-ethylcyclobutan-1-amine
CID 104676686
2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 104676046
2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine
CID 104676122
3-(5-bromo-2-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943889
3-(3,5-difluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943656
3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018846

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine (CID 104675985) is 3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2ccc(Br)cc2)C1OCC.
What is the InChIKey of 3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
The InChIKey is VJPURRNQYORRIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO2/c1-3-9-17-13-10-14(15(13)18-4-2)19-12-7-5-11(16)6-8-12/h5-8,13-15,17H,3-4,9-10H2,1-2H3.
What are the key properties of 3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine has a molecular weight of 328.25 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104675985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).