3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine

C15H19Cl2NO — CID 66356924

IUPAC3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
SMILESCNC1CC(Oc2ccc(Cl)cc2Cl)C12CCCC2
InChIInChI=1S/C15H19Cl2NO/c1-18-13-9-14(15(13)6-2-3-7-15)19-12-5-4-10(16)8-11(12)17/h4-5,8,13-14,18H,2-3,6-7,9H2,1H3
InChIKeySIKIQSJZTOFIRL-UHFFFAOYSA-N
MW300.23 g/mol
LogP4.29
Rot. Bonds3

About 3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine

3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine (PubChem CID 66356924) has the molecular formula C15H19Cl2NO and a molecular weight of 300.23 g/mol. Its IUPAC name is 3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
PubChem CID66356924
Molecular FormulaC15H19Cl2NO
Molecular Weight300.23 g/mol
Exact Mass299.08
IUPAC Name3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
SMILESCNC1CC(Oc2ccc(Cl)cc2Cl)C12CCCC2
InChIInChI=1S/C15H19Cl2NO/c1-18-13-9-14(15(13)6-2-3-7-15)19-12-5-4-10(16)8-11(12)17/h4-5,8,13-14,18H,2-3,6-7,9H2,1H3
InChIKeySIKIQSJZTOFIRL-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.23
LogP ≤ 54.29
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)-N-methylspiro[3.4]octan-1-amine?
The IUPAC name of 3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine (CID 66356924) is 3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine is CNC1CC(Oc2ccc(Cl)cc2Cl)C12CCCC2.
What is the InChIKey of 3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine?
The InChIKey is SIKIQSJZTOFIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2NO/c1-18-13-9-14(15(13)6-2-3-7-15)19-12-5-4-10(16)8-11(12)17/h4-5,8,13-14,18H,2-3,6-7,9H2,1H3.
What are the key properties of 3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine?
3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine has a molecular weight of 300.23 g/mol, XLogP of 4.29, 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)-N-methylspiro[3.4]octan-1-amine is sourced from PubChem (CID 66356924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).