N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine

C13H15BrFN — CID 62704424

IUPACN-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine
SMILESFc1ccc(C2CC2CNC2CC2)cc1Br
InChIInChI=1S/C13H15BrFN/c14-12-6-8(1-4-13(12)15)11-5-9(11)7-16-10-2-3-10/h1,4,6,9-11,16H,2-3,5,7H2
InChIKeyVPJOERNDICMPTE-UHFFFAOYSA-N
MW284.17 g/mol
LogP3.44
Rot. Bonds4

About N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine

N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine (PubChem CID 62704424) has the molecular formula C13H15BrFN and a molecular weight of 284.17 g/mol. Its IUPAC name is N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine
PubChem CID62704424
Molecular FormulaC13H15BrFN
Molecular Weight284.17 g/mol
Exact Mass283.04
IUPAC NameN-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine
SMILESFc1ccc(C2CC2CNC2CC2)cc1Br
InChIInChI=1S/C13H15BrFN/c14-12-6-8(1-4-13(12)15)11-5-9(11)7-16-10-2-3-10/h1,4,6,9-11,16H,2-3,5,7H2
InChIKeyVPJOERNDICMPTE-UHFFFAOYSA-N
XLogP3.44
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.17
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine (CID 62704424) is N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine is Fc1ccc(C2CC2CNC2CC2)cc1Br.
What is the InChIKey of N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine?
The InChIKey is VPJOERNDICMPTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrFN/c14-12-6-8(1-4-13(12)15)11-5-9(11)7-16-10-2-3-10/h1,4,6,9-11,16H,2-3,5,7H2.
What are the key properties of N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine?
N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine has a molecular weight of 284.17 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromo-4-fluorophenyl)cyclopropyl]methyl]cyclopropanamine is sourced from PubChem (CID 62704424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).