3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine

C14H19Cl2NO — CID 66357069

IUPAC3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c1-4-14(2)12(17-3)8-13(14)18-11-6-9(15)5-10(16)7-11/h5-7,12-13,17H,4,8H2,1-3H3
InChIKeyWARAIPKCGWLTHC-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.15
Rot. Bonds4

About 3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine

3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine (PubChem CID 66357069) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
PubChem CID66357069
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1Oc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C14H19Cl2NO/c1-4-14(2)12(17-3)8-13(14)18-11-6-9(15)5-10(16)7-11/h5-7,12-13,17H,4,8H2,1-3H3
InChIKeyWARAIPKCGWLTHC-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.22
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-chloro-3-pyridinyl)oxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66352042
3-(3,5-dichlorophenoxy)-2-ethyl-2-methylcyclobutan-1-ol
CID 66346462
3-(2,4-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66357327
3-(4-ethoxyphenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66358502
2-ethyl-3-(3-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357331
3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359498
3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66357548
3-[(3-chlorophenyl)methoxy]-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66350520
3-(2-chloro-5-nitrophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine
CID 66353129
2-ethyl-3-(2-fluorophenoxy)-N,2-dimethylcyclobutan-1-amine
CID 66357504
3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66352641
3-(3-chloro-4-fluorophenoxy)-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66350709

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The IUPAC name of 3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine (CID 66357069) is 3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The canonical SMILES for 3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine is CCC1(C)C(NC)CC1Oc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
The InChIKey is WARAIPKCGWLTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-4-14(2)12(17-3)8-13(14)18-11-6-9(15)5-10(16)7-11/h5-7,12-13,17H,4,8H2,1-3H3.
What are the key properties of 3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine?
3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine has a molecular weight of 288.22 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichlorophenoxy)-2-ethyl-N,2-dimethylcyclobutan-1-amine is sourced from PubChem (CID 66357069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).