3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine

C15H20ClNO — CID 66359127

IUPAC3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
SMILESCNC1CC(Oc2ccc(Cl)cc2)C12CCCC2
InChIInChI=1S/C15H20ClNO/c1-17-13-10-14(15(13)8-2-3-9-15)18-12-6-4-11(16)5-7-12/h4-7,13-14,17H,2-3,8-10H2,1H3
InChIKeyWYKQHEAOZFGPDX-UHFFFAOYSA-N
MW265.78 g/mol
LogP3.64
Rot. Bonds3

About 3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine

3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine (PubChem CID 66359127) has the molecular formula C15H20ClNO and a molecular weight of 265.78 g/mol. Its IUPAC name is 3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
PubChem CID66359127
Molecular FormulaC15H20ClNO
Molecular Weight265.78 g/mol
Exact Mass265.12
IUPAC Name3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
SMILESCNC1CC(Oc2ccc(Cl)cc2)C12CCCC2
InChIInChI=1S/C15H20ClNO/c1-17-13-10-14(15(13)8-2-3-9-15)18-12-6-4-11(16)5-7-12/h4-7,13-14,17H,2-3,8-10H2,1H3
InChIKeyWYKQHEAOZFGPDX-UHFFFAOYSA-N
XLogP3.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.78
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-3-(4-propan-2-ylphenoxy)spiro[3.5]nonan-1-amine
CID 66359517
3-(3,5-dichlorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 66359498
3-(4-chloro-3-fluorophenoxy)-N-methylspiro[3.5]nonan-1-amine
CID 82717363
3-(2,4-dichlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66356924
3-(4-chloro-3,5-dimethylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66359072
3-(3-fluoro-4-methylphenoxy)-N-methylspiro[3.4]octan-1-amine
CID 107171641
3-(2-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine
CID 66357306
3-(3-fluorophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66357529
3-(2-bromophenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66358000
3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66350711
N-ethyl-3-(4-methylphenoxy)spiro[3.4]octan-1-amine
CID 66359379
3-(2,3-dimethylphenoxy)-N-methylspiro[3.6]decan-1-amine
CID 66359116

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine?
The IUPAC name of 3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine (CID 66359127) is 3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine is CNC1CC(Oc2ccc(Cl)cc2)C12CCCC2.
What is the InChIKey of 3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine?
The InChIKey is WYKQHEAOZFGPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClNO/c1-17-13-10-14(15(13)8-2-3-9-15)18-12-6-4-11(16)5-7-12/h4-7,13-14,17H,2-3,8-10H2,1H3.
What are the key properties of 3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine?
3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine has a molecular weight of 265.78 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenoxy)-N-methylspiro[3.4]octan-1-amine is sourced from PubChem (CID 66359127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).