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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).