N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine

C31H36FNO — CID 77476303

IUPACN,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
SMILESFc1ccc(C2(CCN(Cc3ccccc3)Cc3ccccc3)CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C31H36FNO/c32-29-15-13-28(14-16-29)30(20-22-34-31(25-30)17-7-8-18-31)19-21-33(23-26-9-3-1-4-10-26)24-27-11-5-2-6-12-27/h1-6,9-16H,7-8,17-25H2
InChIKeyANMGMCIYPWRRRA-UHFFFAOYSA-N
MW457.63 g/mol
LogP7.28
Rot. Bonds8

About N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine

N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine (PubChem CID 77476303) has the molecular formula C31H36FNO and a molecular weight of 457.63 g/mol. Its IUPAC name is N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine.

Molecular Properties

Compound NameN,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
PubChem CID77476303
Molecular FormulaC31H36FNO
Molecular Weight457.63 g/mol
Exact Mass457.28
IUPAC NameN,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine
SMILESFc1ccc(C2(CCN(Cc3ccccc3)Cc3ccccc3)CCOC3(CCCC3)C2)cc1
InChIInChI=1S/C31H36FNO/c32-29-15-13-28(14-16-29)30(20-22-34-31(25-30)17-7-8-18-31)19-21-33(23-26-9-3-1-4-10-26)24-27-11-5-2-6-12-27/h1-6,9-16H,7-8,17-25H2
InChIKeyANMGMCIYPWRRRA-UHFFFAOYSA-N
XLogP7.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.63
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine 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 N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The IUPAC name of N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine (CID 77476303) is N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine.
What is the SMILES notation for N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The canonical SMILES for N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine is Fc1ccc(C2(CCN(Cc3ccccc3)Cc3ccccc3)CCOC3(CCCC3)C2)cc1.
What is the InChIKey of N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine?
The InChIKey is ANMGMCIYPWRRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36FNO/c32-29-15-13-28(14-16-29)30(20-22-34-31(25-30)17-7-8-18-31)19-21-33(23-26-9-3-1-4-10-26)24-27-11-5-2-6-12-27/h1-6,9-16H,7-8,17-25H2.
What are the key properties of N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine?
N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine has a molecular weight of 457.63 g/mol, XLogP of 7.28, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibenzyl-2-[9-(4-fluorophenyl)-6-oxaspiro[4.5]decan-9-yl]ethanamine is sourced from PubChem (CID 77476303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).