3-(2,4-dichlorophenoxy)cyclobutan-1-amine

C10H11Cl2NO — CID 66359762

IUPAC3-(2,4-dichlorophenoxy)cyclobutan-1-amine
SMILESNC1CC(Oc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C10H11Cl2NO/c11-6-1-2-10(9(12)3-6)14-8-4-7(13)5-8/h1-3,7-8H,4-5,13H2
InChIKeyUWVZHNCJALQLNN-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.86
Rot. Bonds2

About 3-(2,4-dichlorophenoxy)cyclobutan-1-amine

3-(2,4-dichlorophenoxy)cyclobutan-1-amine (PubChem CID 66359762) has the molecular formula C10H11Cl2NO and a molecular weight of 232.11 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)cyclobutan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)cyclobutan-1-amine
PubChem CID66359762
Molecular FormulaC10H11Cl2NO
Molecular Weight232.11 g/mol
Exact Mass231.02
IUPAC Name3-(2,4-dichlorophenoxy)cyclobutan-1-amine
SMILESNC1CC(Oc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C10H11Cl2NO/c11-6-1-2-10(9(12)3-6)14-8-4-7(13)5-8/h1-3,7-8H,4-5,13H2
InChIKeyUWVZHNCJALQLNN-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenoxy)cyclobutan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenoxy)cyclobutan-1-amine (CID 66359762) is 3-(2,4-dichlorophenoxy)cyclobutan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)cyclobutan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenoxy)cyclobutan-1-amine is NC1CC(Oc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of 3-(2,4-dichlorophenoxy)cyclobutan-1-amine?
The InChIKey is UWVZHNCJALQLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NO/c11-6-1-2-10(9(12)3-6)14-8-4-7(13)5-8/h1-3,7-8H,4-5,13H2.
What are the key properties of 3-(2,4-dichlorophenoxy)cyclobutan-1-amine?
3-(2,4-dichlorophenoxy)cyclobutan-1-amine has a molecular weight of 232.11 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenoxy)cyclobutan-1-amine is sourced from PubChem (CID 66359762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).