3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine

C13H17Cl2NO2 — CID 104675939

IUPAC3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-3-17-13-10(16-2)7-12(13)18-11-6-8(14)4-5-9(11)15/h4-6,10,12-13,16H,3,7H2,1-2H3
InChIKeySOWCRLRFKFJVFK-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.14
Rot. Bonds5

About 3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine

3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine (PubChem CID 104675939) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
PubChem CID104675939
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
SMILESCCOC1C(NC)CC1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2NO2/c1-3-17-13-10(16-2)7-12(13)18-11-6-8(14)4-5-9(11)15/h4-6,10,12-13,16H,3,7H2,1-2H3
InChIKeySOWCRLRFKFJVFK-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromo-2-ethoxycyclobutyl)oxy-1,4-dichlorobenzene
CID 104675489
3-(5-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943752
3-(4-chloro-2-methylphenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943282
3-(5-bromo-2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104676536
3-(4-tert-butyl-2-methylphenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676317
2-ethoxy-3-(4-methoxyphenoxy)-N-methylcyclobutan-1-amine
CID 104676046
3-(2-chlorophenoxy)-2-ethoxy-N-propylcyclobutan-1-amine
CID 104675988
2-[(2,5-dichlorophenoxy)methyl]-N-methylcyclopropan-1-amine
CID 112547513
3-(3-bromophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676021
1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene
CID 104673772
3-(2,5-difluoro-4-nitrophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine
CID 104676512
3-(3-chloro-2-fluorophenoxy)-N-methyl-2-propoxycyclobutan-1-amine
CID 107943870

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine (CID 104675939) is 3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine is CCOC1C(NC)CC1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
The InChIKey is SOWCRLRFKFJVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-3-17-13-10(16-2)7-12(13)18-11-6-8(14)4-5-9(11)15/h4-6,10,12-13,16H,3,7H2,1-2H3.
What are the key properties of 3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine?
3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine has a molecular weight of 290.19 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dichlorophenoxy)-2-ethoxy-N-methylcyclobutan-1-amine is sourced from PubChem (CID 104675939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).