3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine

C17H23F2NO — CID 66350700

IUPAC3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine
SMILESCCCNC1CC(Oc2cccc(F)c2F)C12CCCC2
InChIInChI=1S/C17H23F2NO/c1-2-10-20-14-11-15(17(14)8-3-4-9-17)21-13-7-5-6-12(18)16(13)19/h5-7,14-15,20H,2-4,8-11H2,1H3
InChIKeyXZGWLSWATMPZBE-UHFFFAOYSA-N
MW295.37 g/mol
LogP4.04
Rot. Bonds5

About 3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine

3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine (PubChem CID 66350700) has the molecular formula C17H23F2NO and a molecular weight of 295.37 g/mol. Its IUPAC name is 3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine.

Molecular Properties

Compound Name3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine
PubChem CID66350700
Molecular FormulaC17H23F2NO
Molecular Weight295.37 g/mol
Exact Mass295.17
IUPAC Name3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine
SMILESCCCNC1CC(Oc2cccc(F)c2F)C12CCCC2
InChIInChI=1S/C17H23F2NO/c1-2-10-20-14-11-15(17(14)8-3-4-9-17)21-13-7-5-6-12(18)16(13)19/h5-7,14-15,20H,2-4,8-11H2,1H3
InChIKeyXZGWLSWATMPZBE-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(2-fluoro-3-methylphenoxy)spiro[3.5]nonan-1-amine
CID 107662355
N-ethyl-3-(2-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357502
3-(2-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66351321
3-(3-chloro-4-fluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66350711
3-bromo-1-(2,3-difluorophenoxy)spiro[3.4]octane
CID 66343922
3-(2,4-dibromophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66352926
3-(2,4-difluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66357541
3-(2,6-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 81267993
3-(2,5-difluorophenoxy)-2,2-dimethyl-N-propylcyclobutan-1-amine
CID 66351359
3-(4-chloro-3-methylphenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66357801
3-(2-bromo-4-fluorophenoxy)-N-ethylspiro[3.4]octan-1-amine
CID 66359577
N-ethyl-3-(3-fluorophenoxy)spiro[3.6]decan-1-amine
CID 66357329

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine?
The IUPAC name of 3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine (CID 66350700) is 3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine.
What is the SMILES notation for 3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine?
The canonical SMILES for 3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine is CCCNC1CC(Oc2cccc(F)c2F)C12CCCC2.
What is the InChIKey of 3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine?
The InChIKey is XZGWLSWATMPZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F2NO/c1-2-10-20-14-11-15(17(14)8-3-4-9-17)21-13-7-5-6-12(18)16(13)19/h5-7,14-15,20H,2-4,8-11H2,1H3.
What are the key properties of 3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine?
3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine has a molecular weight of 295.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine is sourced from PubChem (CID 66350700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).