N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine

C14H15BrFN — CID 61300238

IUPACN-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFc1ccc(Br)cc1CNC1CC2CC=CC21
InChIInChI=1S/C14H15BrFN/c15-11-4-5-13(16)10(6-11)8-17-14-7-9-2-1-3-12(9)14/h1,3-6,9,12,14,17H,2,7-8H2
InChIKeyBVMZYHWVHRYKMN-UHFFFAOYSA-N
MW296.18 g/mol
LogP3.64
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine

N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine (PubChem CID 61300238) has the molecular formula C14H15BrFN and a molecular weight of 296.18 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
PubChem CID61300238
Molecular FormulaC14H15BrFN
Molecular Weight296.18 g/mol
Exact Mass295.04
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine
SMILESFc1ccc(Br)cc1CNC1CC2CC=CC21
InChIInChI=1S/C14H15BrFN/c15-11-4-5-13(16)10(6-11)8-17-14-7-9-2-1-3-12(9)14/h1,3-6,9,12,14,17H,2,7-8H2
InChIKeyBVMZYHWVHRYKMN-UHFFFAOYSA-N
XLogP3.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine (CID 61300238) is N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine is Fc1ccc(Br)cc1CNC1CC2CC=CC21.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
The InChIKey is BVMZYHWVHRYKMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrFN/c15-11-4-5-13(16)10(6-11)8-17-14-7-9-2-1-3-12(9)14/h1,3-6,9,12,14,17H,2,7-8H2.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine?
N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine has a molecular weight of 296.18 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]bicyclo[3.2.0]hept-3-en-6-amine is sourced from PubChem (CID 61300238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).