3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine

C16H25NO2 — CID 66358502

IUPAC3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCOc1ccc(OC2CC(NC)C2(C)CC)cc1
InChIInChI=1S/C16H25NO2/c1-5-16(3)14(17-4)11-15(16)19-13-9-7-12(8-10-13)18-6-2/h7-10,14-15,17H,5-6,11H2,1-4H3
InChIKeyZSMMJJSMKGZFAO-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.24
Rot. Bonds6

About 3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine

3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine (PubChem CID 66358502) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
PubChem CID66358502
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCOc1ccc(OC2CC(NC)C2(C)CC)cc1
InChIInChI=1S/C16H25NO2/c1-5-16(3)14(17-4)11-15(16)19-13-9-7-12(8-10-13)18-6-2/h7-10,14-15,17H,5-6,11H2,1-4H3
InChIKeyZSMMJJSMKGZFAO-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxyphenoxy)-2-ethyl-2-methylcyclobutan-1-amine
CID 66358501
3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66357069
2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357331
N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine
CID 66358548
2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357504
2-ethyl-3-(4-methoxyphenoxy)-2-methyl-N-propylcyclobutan-1-amine
CID 66358954
3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66357327
2-ethyl-2-methyl-3-(4-propoxyphenoxy)cyclobutan-1-amine
CID 66357616
2,2-diethyl-N-methyl-3-(4-methylphenoxy)cyclobutan-1-amine
CID 66356750
3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66358932
3-(3,4-dimethylphenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66359337
3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66352641

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine (CID 66358502) is 3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine is CCOc1ccc(OC2CC(NC)C2(C)CC)cc1.
What is the InChIKey of 3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The InChIKey is ZSMMJJSMKGZFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-5-16(3)14(17-4)11-15(16)19-13-9-7-12(8-10-13)18-6-2/h7-10,14-15,17H,5-6,11H2,1-4H3.
What are the key properties of 3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine has a molecular weight of 263.38 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66358502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).