8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine

C14H16BrFN2O — CID 123724184

IUPAC8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine
SMILESCC1C(c2cc(Br)ccc2F)N=C(N)OC12CCC2
InChIInChI=1S/C14H16BrFN2O/c1-8-12(10-7-9(15)3-4-11(10)16)18-13(17)19-14(8)5-2-6-14/h3-4,7-8,12H,2,5-6H2,1H3,(H2,17,18)
InChIKeyKXTBKPHFYYWUQE-UHFFFAOYSA-N
MW327.20 g/mol
LogP3.53
Rot. Bonds1

About 8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine

8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine (PubChem CID 123724184) has the molecular formula C14H16BrFN2O and a molecular weight of 327.20 g/mol. Its IUPAC name is 8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine.

Molecular Properties

Compound Name8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine
PubChem CID123724184
Molecular FormulaC14H16BrFN2O
Molecular Weight327.20 g/mol
Exact Mass326.04
IUPAC Name8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine
SMILESCC1C(c2cc(Br)ccc2F)N=C(N)OC12CCC2
InChIInChI=1S/C14H16BrFN2O/c1-8-12(10-7-9(15)3-4-11(10)16)18-13(17)19-14(8)5-2-6-14/h3-4,7-8,12H,2,5-6H2,1H3,(H2,17,18)
InChIKeyKXTBKPHFYYWUQE-UHFFFAOYSA-N
XLogP3.53
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine?
The IUPAC name of 8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine (CID 123724184) is 8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine.
What is the SMILES notation for 8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine?
The canonical SMILES for 8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine is CC1C(c2cc(Br)ccc2F)N=C(N)OC12CCC2.
What is the InChIKey of 8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine?
The InChIKey is KXTBKPHFYYWUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrFN2O/c1-8-12(10-7-9(15)3-4-11(10)16)18-13(17)19-14(8)5-2-6-14/h3-4,7-8,12H,2,5-6H2,1H3,(H2,17,18).
What are the key properties of 8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine?
8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine has a molecular weight of 327.20 g/mol, XLogP of 3.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-bromo-2-fluorophenyl)-9-methyl-5-oxa-7-azaspiro[3.5]non-6-en-6-amine is sourced from PubChem (CID 123724184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).