4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine

C21H32FN3O2 — CID 11485734

IUPAC4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine
SMILESCNCC(CCN1CC(N2CCC3(CC2)OCCO3)C1)c1ccc(F)cc1
InChIInChI=1S/C21H32FN3O2/c1-23-14-18(17-2-4-19(22)5-3-17)6-9-24-15-20(16-24)25-10-7-21(8-11-25)26-12-13-27-21/h2-5,18,20,23H,6-16H2,1H3
InChIKeyAZJZOMOXXVGTBU-UHFFFAOYSA-N
MW377.50 g/mol
LogP2.04
Rot. Bonds7

About 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine

4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine (PubChem CID 11485734) has the molecular formula C21H32FN3O2 and a molecular weight of 377.50 g/mol. Its IUPAC name is 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine
PubChem CID11485734
Molecular FormulaC21H32FN3O2
Molecular Weight377.50 g/mol
Exact Mass377.25
IUPAC Name4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine
SMILESCNCC(CCN1CC(N2CCC3(CC2)OCCO3)C1)c1ccc(F)cc1
InChIInChI=1S/C21H32FN3O2/c1-23-14-18(17-2-4-19(22)5-3-17)6-9-24-15-20(16-24)25-10-7-21(8-11-25)26-12-13-27-21/h2-5,18,20,23H,6-16H2,1H3
InChIKeyAZJZOMOXXVGTBU-UHFFFAOYSA-N
XLogP2.04
TPSA36.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.50
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine?
The IUPAC name of 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine (CID 11485734) is 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine?
The canonical SMILES for 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine is CNCC(CCN1CC(N2CCC3(CC2)OCCO3)C1)c1ccc(F)cc1.
What is the InChIKey of 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine?
The InChIKey is AZJZOMOXXVGTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN3O2/c1-23-14-18(17-2-4-19(22)5-3-17)6-9-24-15-20(16-24)25-10-7-21(8-11-25)26-12-13-27-21/h2-5,18,20,23H,6-16H2,1H3.
What are the key properties of 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine?
4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine has a molecular weight of 377.50 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)azetidin-1-yl]-2-(4-fluorophenyl)-N-methylbutan-1-amine is sourced from PubChem (CID 11485734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).