3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine

C12H14BrCl2NO — CID 107662318

IUPAC3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2cc(Cl)c(Br)cc2Cl)C1
InChIInChI=1S/C12H14BrCl2NO/c1-2-16-7-3-8(4-7)17-12-6-10(14)9(13)5-11(12)15/h5-8,16H,2-4H2,1H3
InChIKeyJZTODRMJPAVJBO-UHFFFAOYSA-N
MW339.06 g/mol
LogP4.28
Rot. Bonds4

About 3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine

3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine (PubChem CID 107662318) has the molecular formula C12H14BrCl2NO and a molecular weight of 339.06 g/mol. Its IUPAC name is 3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine
PubChem CID107662318
Molecular FormulaC12H14BrCl2NO
Molecular Weight339.06 g/mol
Exact Mass336.96
IUPAC Name3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine
SMILESCCNC1CC(Oc2cc(Cl)c(Br)cc2Cl)C1
InChIInChI=1S/C12H14BrCl2NO/c1-2-16-7-3-8(4-7)17-12-6-10(14)9(13)5-11(12)15/h5-8,16H,2-4H2,1H3
InChIKeyJZTODRMJPAVJBO-UHFFFAOYSA-N
XLogP4.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.06
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3-(2-chlorophenoxy)-N-ethylcyclobutan-1-amine
CID 66357505
3-(4-bromo-2,5-dichlorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 107662308
3-(4-bromo-2-propan-2-ylphenoxy)-N-ethylcyclobutan-1-amine
CID 115403047
N-ethyl-3-(2,3,5-trimethylphenoxy)cyclobutan-1-amine
CID 66359646
3-(2-bromo-4-chloro-6-nitrophenoxy)-N-ethylcyclobutan-1-amine
CID 66357862
3-(2-bromo-5-nitrophenoxy)-N-ethylcyclobutan-1-amine
CID 103013152
N-ethyl-3-(2-fluoro-5-methylphenoxy)cyclobutan-1-amine
CID 66351826
3-(4-bromo-2,5-dichlorophenoxy)-2,2-diethyl-N-methylcyclobutan-1-amine
CID 107662304
3-(3-chloro-4-fluorophenoxy)-N-ethylcyclobutan-1-amine
CID 66351585
3-(2-chloro-4-methylphenoxy)-N-propylcyclobutan-1-amine
CID 66350258
3-(6-bromonaphthalen-2-yl)oxy-N-ethylcyclobutan-1-amine
CID 66357735
3-(2-chlorophenoxy)-N-ethylcyclohexan-1-amine
CID 79618026

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine?
The IUPAC name of 3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine (CID 107662318) is 3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine?
The canonical SMILES for 3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine is CCNC1CC(Oc2cc(Cl)c(Br)cc2Cl)C1.
What is the InChIKey of 3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine?
The InChIKey is JZTODRMJPAVJBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrCl2NO/c1-2-16-7-3-8(4-7)17-12-6-10(14)9(13)5-11(12)15/h5-8,16H,2-4H2,1H3.
What are the key properties of 3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine?
3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine has a molecular weight of 339.06 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-2,5-dichlorophenoxy)-N-ethylcyclobutan-1-amine is sourced from PubChem (CID 107662318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).