3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine

C13H17Cl2NO — CID 66357326

IUPAC3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-3-13(2)11(16)7-12(13)17-10-5-4-8(14)6-9(10)15/h4-6,11-12H,3,7,16H2,1-2H3
InChIKeyZLSVQKMHHMINCU-UHFFFAOYSA-N
MW274.19 g/mol
LogP3.89
Rot. Bonds3

About 3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine

3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine (PubChem CID 66357326) has the molecular formula C13H17Cl2NO and a molecular weight of 274.19 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
PubChem CID66357326
Molecular FormulaC13H17Cl2NO
Molecular Weight274.19 g/mol
Exact Mass273.07
IUPAC Name3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
SMILESCCC1(C)C(N)CC1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H17Cl2NO/c1-3-13(2)11(16)7-12(13)17-10-5-4-8(14)6-9(10)15/h4-6,11-12H,3,7,16H2,1-2H3
InChIKeyZLSVQKMHHMINCU-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.19
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-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

Related Compounds

3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66357327
3-(4-chloro-2-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66359421
3-(2-chlorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66356904
3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-2-methylcyclobutan-1-amine
CID 66352041
2-ethyl-2-methyl-3-(5-methyl-2-nitrophenoxy)cyclobutan-1-amine
CID 66357396
3-(2,4-dichlorophenoxy)cyclobutan-1-amine
CID 66359762
3-(4-ethoxyphenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66358501
2-ethyl-3-(4-iodophenoxy)-2-methylcyclobutan-1-amine
CID 66356835
3-[3-bromo-4-(trifluoromethoxy)phenoxy]-2-ethyl-2-methylcyclobutan-1-amine
CID 102715077
3-(3-chloro-4-fluorophenoxy)-2,2-diethylcyclobutan-1-amine
CID 66350938
2-(3-bromo-2-ethyl-2-methylcyclobutyl)oxy-1,3,5-trichlorobenzene
CID 66346383
3-(2,5-dimethyl-4-nitrophenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66352455

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine (CID 66357326) is 3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine is CCC1(C)C(N)CC1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine?
The InChIKey is ZLSVQKMHHMINCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO/c1-3-13(2)11(16)7-12(13)17-10-5-4-8(14)6-9(10)15/h4-6,11-12H,3,7,16H2,1-2H3.
What are the key properties of 3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine?
3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine has a molecular weight of 274.19 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66357326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).