8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

C18H26BrFN2O — CID 91910521

IUPAC8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(Cc1cc(Br)ccc1F)CC2
InChIInChI=1S/C18H26BrFN2O/c1-21-11-15(12-23-2)18(13-21)5-7-22(8-6-18)10-14-9-16(19)3-4-17(14)20/h3-4,9,15H,5-8,10-13H2,1-2H3
InChIKeyWQKAHBUPHJKKTJ-UHFFFAOYSA-N
MW385.32 g/mol
LogP3.38
Rot. Bonds4

About 8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane

8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 91910521) has the molecular formula C18H26BrFN2O and a molecular weight of 385.32 g/mol. Its IUPAC name is 8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
PubChem CID91910521
Molecular FormulaC18H26BrFN2O
Molecular Weight385.32 g/mol
Exact Mass384.12
IUPAC Name8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(C)CC12CCN(Cc1cc(Br)ccc1F)CC2
InChIInChI=1S/C18H26BrFN2O/c1-21-11-15(12-23-2)18(13-21)5-7-22(8-6-18)10-14-9-16(19)3-4-17(14)20/h3-4,9,15H,5-8,10-13H2,1-2H3
InChIKeyWQKAHBUPHJKKTJ-UHFFFAOYSA-N
XLogP3.38
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane (CID 91910521) is 8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is COCC1CN(C)CC12CCN(Cc1cc(Br)ccc1F)CC2.
What is the InChIKey of 8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is WQKAHBUPHJKKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26BrFN2O/c1-21-11-15(12-23-2)18(13-21)5-7-22(8-6-18)10-14-9-16(19)3-4-17(14)20/h3-4,9,15H,5-8,10-13H2,1-2H3.
What are the key properties of 8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane?
8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 385.32 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-bromo-2-fluorophenyl)methyl]-4-(methoxymethyl)-2-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).