N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine

C12H13BrFN — CID 115777600

IUPACN-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine
SMILESFc1ccc(Br)c(CNC2CC=CC2)c1
InChIInChI=1S/C12H13BrFN/c13-12-6-5-10(14)7-9(12)8-15-11-3-1-2-4-11/h1-2,5-7,11,15H,3-4,8H2
InChIKeyTXQQKZVBWMHDFK-UHFFFAOYSA-N
MW270.14 g/mol
LogP3.40
Rot. Bonds3

About N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine

N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine (PubChem CID 115777600) has the molecular formula C12H13BrFN and a molecular weight of 270.14 g/mol. Its IUPAC name is N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine.

Molecular Properties

Compound NameN-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine
PubChem CID115777600
Molecular FormulaC12H13BrFN
Molecular Weight270.14 g/mol
Exact Mass269.02
IUPAC NameN-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine
SMILESFc1ccc(Br)c(CNC2CC=CC2)c1
InChIInChI=1S/C12H13BrFN/c13-12-6-5-10(14)7-9(12)8-15-11-3-1-2-4-11/h1-2,5-7,11,15H,3-4,8H2
InChIKeyTXQQKZVBWMHDFK-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.14
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromo-5-fluorophenyl)methyl]spiro[4.5]decan-8-amine
CID 114817509
N-[(2-bromo-5-fluorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63452721
N-[(2-bromo-5-fluorophenyl)methyl]-3,4-dimethylcyclohexan-1-amine
CID 64746999
4-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxylic acid
CID 60810202
N-[(2-bromo-5-fluorophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 103866090
4-[(2-bromo-5-fluorophenyl)methylamino]piperidine-1-carboxamide
CID 54902697
3-[(2-bromo-5-fluorophenyl)methylamino]cyclohexane-1-carboxamide
CID 71967391
N-[(2-bromo-5-fluorophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115713126
(1S,6R)-6-[(2-bromo-5-fluorophenyl)methylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 93444649
1-(2-bromo-5-fluorophenyl)-N-methylmethanamine;hydrochloride
CID 86811714
N-[(2-bromo-5-fluorophenyl)methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 43199346
N-[(2-bromo-5-fluorophenyl)methyl]spiro[3.5]nonan-3-amine
CID 102951559

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine?
The IUPAC name of N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine (CID 115777600) is N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine.
What is the SMILES notation for N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine?
The canonical SMILES for N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine is Fc1ccc(Br)c(CNC2CC=CC2)c1.
What is the InChIKey of N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine?
The InChIKey is TXQQKZVBWMHDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrFN/c13-12-6-5-10(14)7-9(12)8-15-11-3-1-2-4-11/h1-2,5-7,11,15H,3-4,8H2.
What are the key properties of N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine?
N-[(2-bromo-5-fluorophenyl)methyl]cyclopent-3-en-1-amine has a molecular weight of 270.14 g/mol, XLogP of 3.40, 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]cyclopent-3-en-1-amine is sourced from PubChem (CID 115777600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).