N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine

C17H23BrFN — CID 114817509

IUPACN-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine
SMILESFc1ccc(Br)c(CNC2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C17H23BrFN/c18-16-4-3-14(19)11-13(16)12-20-15-5-9-17(10-6-15)7-1-2-8-17/h3-4,11,15,20H,1-2,5-10,12H2
InChIKeySOGXAEHUZOGHLJ-UHFFFAOYSA-N
MW340.28 g/mol
LogP5.18
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine

N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine (PubChem CID 114817509) has the molecular formula C17H23BrFN and a molecular weight of 340.28 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine
PubChem CID114817509
Molecular FormulaC17H23BrFN
Molecular Weight340.28 g/mol
Exact Mass339.10
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine
SMILESFc1ccc(Br)c(CNC2CCC3(CCCC3)CC2)c1
InChIInChI=1S/C17H23BrFN/c18-16-4-3-14(19)11-13(16)12-20-15-5-9-17(10-6-15)7-1-2-8-17/h3-4,11,15,20H,1-2,5-10,12H2
InChIKeySOGXAEHUZOGHLJ-UHFFFAOYSA-N
XLogP5.18
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.28
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine
CID 102951559
N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine
CID 115777600
N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63452721
4-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810202
3-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 71967391
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64746999
N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 103866090
4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
CID 54902697
N-[(2,5-dibromophenyl)methyl]cyclobutanamine
CID 130682714
N-[(2-bromo-5-fluorophenyl)methyl]-3-(cyclopropylamino)propanamide
CID 54902470
N-[(2-chlorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817057
N-[(2-bromo-5-chlorophenyl)methyl]cyclopentanamine
CID 66158673

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine (CID 114817509) is N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine is Fc1ccc(Br)c(CNC2CCC3(CCCC3)CC2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine?
The InChIKey is SOGXAEHUZOGHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrFN/c18-16-4-3-14(19)11-13(16)12-20-15-5-9-17(10-6-15)7-1-2-8-17/h3-4,11,15,20H,1-2,5-10,12H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine?
N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine has a molecular weight of 340.28 g/mol, XLogP of 5.18, 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[4.5]decan-8-amine is sourced from PubChem (CID 114817509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).