N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine

C18H27FN2 — CID 106532441

IUPACN-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(N2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C18H27FN2/c1-2-20-14-15-11-16(19)13-17(12-15)21-9-7-18(8-10-21)5-3-4-6-18/h11-13,20H,2-10,14H2,1H3
InChIKeyMOOUEOYNOCEBOE-UHFFFAOYSA-N
MW290.43 g/mol
LogP4.10
Rot. Bonds4

About N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine

N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine (PubChem CID 106532441) has the molecular formula C18H27FN2 and a molecular weight of 290.43 g/mol. Its IUPAC name is N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine
PubChem CID106532441
Molecular FormulaC18H27FN2
Molecular Weight290.43 g/mol
Exact Mass290.22
IUPAC NameN-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine
SMILESCCNCc1cc(F)cc(N2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C18H27FN2/c1-2-20-14-15-11-16(19)13-17(12-15)21-9-7-18(8-10-21)5-3-4-6-18/h11-13,20H,2-10,14H2,1H3
InChIKeyMOOUEOYNOCEBOE-UHFFFAOYSA-N
XLogP4.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.43
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine (CID 106532441) is N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine is CCNCc1cc(F)cc(N2CCC3(CCCC3)CC2)c1.
What is the InChIKey of N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine?
The InChIKey is MOOUEOYNOCEBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27FN2/c1-2-20-14-15-11-16(19)13-17(12-15)21-9-7-18(8-10-21)5-3-4-6-18/h11-13,20H,2-10,14H2,1H3.
What are the key properties of N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine?
N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine has a molecular weight of 290.43 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(8-azaspiro[4.5]decan-8-yl)-5-fluorophenyl]methyl]ethanamine is sourced from PubChem (CID 106532441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).