N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine

C16H21BrFN — CID 102951559

IUPACN-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine
SMILESFc1ccc(Br)c(CNC2CCC23CCCCC3)c1
InChIInChI=1S/C16H21BrFN/c17-14-5-4-13(18)10-12(14)11-19-15-6-9-16(15)7-2-1-3-8-16/h4-5,10,15,19H,1-3,6-9,11H2
InChIKeyKBNXUCMZQWQHCB-UHFFFAOYSA-N
MW326.25 g/mol
LogP4.79
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine

N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine (PubChem CID 102951559) has the molecular formula C16H21BrFN and a molecular weight of 326.25 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine
PubChem CID102951559
Molecular FormulaC16H21BrFN
Molecular Weight326.25 g/mol
Exact Mass325.08
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine
SMILESFc1ccc(Br)c(CNC2CCC23CCCCC3)c1
InChIInChI=1S/C16H21BrFN/c17-14-5-4-13(18)10-12(14)11-19-15-6-9-16(15)7-2-1-3-8-16/h4-5,10,15,19H,1-3,6-9,11H2
InChIKeyKBNXUCMZQWQHCB-UHFFFAOYSA-N
XLogP4.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.25
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817509
N-[(3-chloro-4-fluorophenyl)methyl]spiro[3.5]nonan-3-amine
CID 102951843
N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115777600
N-[(2-bromo-5-fluorophenyl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 102896931
2-[(2-bromo-5-fluorophenyl)methylamino]cycloheptane-1-carbonitrile
CID 62741326
N-[(2-bromo-5-fluorophenyl)methyl]-6-fluoro-3,4-dihydro-2H-thiochromen-4-amine
CID 103779098
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64746999
N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63452721
1-(aminomethyl)-N-[(2-bromo-5-fluorophenyl)methyl]cycloheptane-1-carboxamide
CID 115443918
N-[(2-chloro-6-methoxyphenyl)methyl]spiro[3.5]nonan-3-amine
CID 103292227
N-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43199346
4-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810202

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine (CID 102951559) is N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine is Fc1ccc(Br)c(CNC2CCC23CCCCC3)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine?
The InChIKey is KBNXUCMZQWQHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrFN/c17-14-5-4-13(18)10-12(14)11-19-15-6-9-16(15)7-2-1-3-8-16/h4-5,10,15,19H,1-3,6-9,11H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine?
N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine has a molecular weight of 326.25 g/mol, XLogP of 4.79, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine is sourced from PubChem (CID 102951559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).