2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

C17H24BrFN2O — CID 91910492

IUPAC2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2cc(F)cc(Br)c2)CC12CCNCC2
InChIInChI=1S/C17H24BrFN2O/c1-22-11-14-10-21(12-17(14)2-4-20-5-3-17)9-13-6-15(18)8-16(19)7-13/h6-8,14,20H,2-5,9-12H2,1H3
InChIKeyIUEJUYJIHSRWHT-UHFFFAOYSA-N
MW371.29 g/mol
LogP3.04
Rot. Bonds4

About 2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane

2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 91910492) has the molecular formula C17H24BrFN2O and a molecular weight of 371.29 g/mol. Its IUPAC name is 2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
PubChem CID91910492
Molecular FormulaC17H24BrFN2O
Molecular Weight371.29 g/mol
Exact Mass370.11
IUPAC Name2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane
SMILESCOCC1CN(Cc2cc(F)cc(Br)c2)CC12CCNCC2
InChIInChI=1S/C17H24BrFN2O/c1-22-11-14-10-21(12-17(14)2-4-20-5-3-17)9-13-6-15(18)8-16(19)7-13/h6-8,14,20H,2-5,9-12H2,1H3
InChIKeyIUEJUYJIHSRWHT-UHFFFAOYSA-N
XLogP3.04
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane (CID 91910492) is 2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is COCC1CN(Cc2cc(F)cc(Br)c2)CC12CCNCC2.
What is the InChIKey of 2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is IUEJUYJIHSRWHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrFN2O/c1-22-11-14-10-21(12-17(14)2-4-20-5-3-17)9-13-6-15(18)8-16(19)7-13/h6-8,14,20H,2-5,9-12H2,1H3.
What are the key properties of 2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane?
2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 371.29 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-5-fluorophenyl)methyl]-4-(methoxymethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 91910492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).