N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine

C14H17BrFNO — CID 79897853

IUPACN-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESFc1cc(Br)ccc1NC1CCOC2(CCC2)C1
InChIInChI=1S/C14H17BrFNO/c15-10-2-3-13(12(16)8-10)17-11-4-7-18-14(9-11)5-1-6-14/h2-3,8,11,17H,1,4-7,9H2
InChIKeyFREMLASKISVBNM-UHFFFAOYSA-N
MW314.20 g/mol
LogP4.10
Rot. Bonds2

About N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine

N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine (PubChem CID 79897853) has the molecular formula C14H17BrFNO and a molecular weight of 314.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
PubChem CID79897853
Molecular FormulaC14H17BrFNO
Molecular Weight314.20 g/mol
Exact Mass313.05
IUPAC NameN-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
SMILESFc1cc(Br)ccc1NC1CCOC2(CCC2)C1
InChIInChI=1S/C14H17BrFNO/c15-10-2-3-13(12(16)8-10)17-11-4-7-18-14(9-11)5-1-6-14/h2-3,8,11,17H,1,4-7,9H2
InChIKeyFREMLASKISVBNM-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,5-dibromophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895723
N-(2-bromo-4-chlorophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 81270688
N-[2-fluoro-5-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899901
N-(2,4-dibromophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79894936
N-(4-fluoro-2-methoxyphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79895813
N-(5-fluoro-2-methylphenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79898100
N-(4-chloro-2-fluorophenyl)-1-oxa-9-thiaspiro[5.5]undecan-4-amine
CID 79895581
N-(5-bromo-2-nitrophenyl)-6-oxaspiro[4.5]decan-9-amine
CID 133377759
N-(3,4,5-trifluorophenyl)-5-oxaspiro[3.5]nonan-8-amine
CID 79903806
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79901887
N-(2,4-difluorophenyl)-6-oxa-2-thiaspiro[4.5]decan-9-amine
CID 79898248
N-(4-bromo-2-fluorophenyl)piperidin-4-amine
CID 61016241

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine (CID 79897853) is N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine is Fc1cc(Br)ccc1NC1CCOC2(CCC2)C1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine?
The InChIKey is FREMLASKISVBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrFNO/c15-10-2-3-13(12(16)8-10)17-11-4-7-18-14(9-11)5-1-6-14/h2-3,8,11,17H,1,4-7,9H2.
What are the key properties of N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine?
N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine has a molecular weight of 314.20 g/mol, XLogP of 4.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-5-oxaspiro[3.5]nonan-8-amine is sourced from PubChem (CID 79897853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).