3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine

C14H19Cl2NO — CID 66359693

IUPAC3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-3-14(4-2)11(17)8-12(14)18-13-9(15)6-5-7-10(13)16/h5-7,11-12H,3-4,8,17H2,1-2H3
InChIKeyFCISNDCKLVPCMW-UHFFFAOYSA-N
MW288.22 g/mol
LogP4.28
Rot. Bonds4

About 3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine

3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine (PubChem CID 66359693) has the molecular formula C14H19Cl2NO and a molecular weight of 288.22 g/mol. Its IUPAC name is 3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine
PubChem CID66359693
Molecular FormulaC14H19Cl2NO
Molecular Weight288.22 g/mol
Exact Mass287.08
IUPAC Name3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine
SMILESCCC1(CC)C(N)CC1Oc1c(Cl)cccc1Cl
InChIInChI=1S/C14H19Cl2NO/c1-3-14(4-2)11(17)8-12(14)18-13-9(15)6-5-7-10(13)16/h5-7,11-12H,3-4,8,17H2,1-2H3
InChIKeyFCISNDCKLVPCMW-UHFFFAOYSA-N
XLogP4.28
TPSA35.25 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 ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine?
The IUPAC name of 3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine (CID 66359693) is 3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine.
What is the SMILES notation for 3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine?
The canonical SMILES for 3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine is CCC1(CC)C(N)CC1Oc1c(Cl)cccc1Cl.
What is the InChIKey of 3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine?
The InChIKey is FCISNDCKLVPCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19Cl2NO/c1-3-14(4-2)11(17)8-12(14)18-13-9(15)6-5-7-10(13)16/h5-7,11-12H,3-4,8,17H2,1-2H3.
What are the key properties of 3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine?
3-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine has a molecular weight of 288.22 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-(2,6-dichlorophenoxy)-2,2-diethylcyclobutan-1-amine is sourced from PubChem (CID 66359693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).