3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine

C15H21BrClNO2 — CID 104676536

IUPAC3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(Br)ccc2Cl)C1OCC
InChIInChI=1S/C15H21BrClNO2/c1-3-7-18-12-9-14(15(12)19-4-2)20-13-8-10(16)5-6-11(13)17/h5-6,8,12,14-15,18H,3-4,7,9H2,1-2H3
InChIKeyWXHUUXLZPXTKOF-UHFFFAOYSA-N
MW362.70 g/mol
LogP4.03
Rot. Bonds7

About 3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine

3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine (PubChem CID 104676536) has the molecular formula C15H21BrClNO2 and a molecular weight of 362.70 g/mol. Its IUPAC name is 3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
PubChem CID104676536
Molecular FormulaC15H21BrClNO2
Molecular Weight362.70 g/mol
Exact Mass361.04
IUPAC Name3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(Oc2cc(Br)ccc2Cl)C1OCC
InChIInChI=1S/C15H21BrClNO2/c1-3-7-18-12-9-14(15(12)19-4-2)20-13-8-10(16)5-6-11(13)17/h5-6,8,12,14-15,18H,3-4,7,9H2,1-2H3
InChIKeyWXHUUXLZPXTKOF-UHFFFAOYSA-N
XLogP4.03
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.70
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675988
3-(4-bromo-2-fluorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676247
3-(4-bromophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675985
3-(5-bromo-2-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943889
2-ethoxy-3-(2-fluoro-3-methylphenoxy)-N-propylcyclobutan-1-amine
CID 107662341
3-(2-bromo-4-fluorophenoxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943309
2-(3-bromo-2-ethoxycyclobutyl)oxy-1,4-dichlorobenzene
CID 104675489
3-(2-chloro-4-fluorophenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674733
2-ethoxy-3-[3-(methoxymethyl)phenoxy]-N-propylcyclobutan-1-amine
CID 104676533
2-ethoxy-3-phenylmethoxy-N-propylcyclobutan-1-amine
CID 104676122
2-ethoxy-3-[(2-nitro-3-pyridinyl)oxy]-N-propylcyclobutan-1-amine
CID 104676250
3-[(3-bromophenyl)methoxy]-2-propoxy-N-propylcyclobutan-1-amine
CID 107943815

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine (CID 104676536) is 3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine is CCCNC1CC(Oc2cc(Br)ccc2Cl)C1OCC.
What is the InChIKey of 3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
The InChIKey is WXHUUXLZPXTKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrClNO2/c1-3-7-18-12-9-14(15(12)19-4-2)20-13-8-10(16)5-6-11(13)17/h5-6,8,12,14-15,18H,3-4,7,9H2,1-2H3.
What are the key properties of 3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine?
3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine has a molecular weight of 362.70 g/mol, XLogP of 4.03, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104676536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).