N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine

C15H13BrF2N2 — CID 106943333

IUPACN-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Br)c(F)c1-c1cncc(CNC2CC2)c1
InChIInChI=1S/C15H13BrF2N2/c16-12-3-4-13(17)14(15(12)18)10-5-9(6-19-8-10)7-20-11-1-2-11/h3-6,8,11,20H,1-2,7H2
InChIKeyAUEKOMJOLQQFOJ-UHFFFAOYSA-N
MW339.18 g/mol
LogP4.04
Rot. Bonds4

About N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine

N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 106943333) has the molecular formula C15H13BrF2N2 and a molecular weight of 339.18 g/mol. Its IUPAC name is N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID106943333
Molecular FormulaC15H13BrF2N2
Molecular Weight339.18 g/mol
Exact Mass338.02
IUPAC NameN-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Br)c(F)c1-c1cncc(CNC2CC2)c1
InChIInChI=1S/C15H13BrF2N2/c16-12-3-4-13(17)14(15(12)18)10-5-9(6-19-8-10)7-20-11-1-2-11/h3-6,8,11,20H,1-2,7H2
InChIKeyAUEKOMJOLQQFOJ-UHFFFAOYSA-N
XLogP4.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.18
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-[[5-(2,3-difluoro-4-methylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 107514144
N-[[5-(2-chloro-5-fluorophenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 105395766
N-[[3-(3-bromo-2-fluorophenyl)phenyl]methyl]cyclopropanamine
CID 106646457
N-[[3-(3-bromo-2,6-difluorophenyl)furan-2-yl]methyl]cyclopropanamine
CID 106943314
N-[[5-(3-propylphenyl)-3-pyridinyl]methyl]cyclopropanamine
CID 116545369
5-[(cyclopropylamino)methyl]pyridin-3-amine
CID 117212683
N-[(3-bromo-4-fluorophenyl)methyl]-4-methylcyclohexan-1-amine
CID 28551294
N-[[5-(5-methyl-1-benzofuran-2-yl)-3-pyridinyl]methyl]cyclopropanamine
CID 114732262
N-[[3-(2,6-difluoro-3-methylphenyl)-4-fluorophenyl]methyl]cyclopropanamine
CID 82803405
N-[[2-(2-bromo-5-fluorophenyl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107924211
N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 65201433
N-[[3-(3,4,5-trifluorophenyl)phenyl]methyl]cyclopropanamine
CID 61239688

Frequently Asked Questions

What is the IUPAC name of N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine (CID 106943333) is N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine is Fc1ccc(Br)c(F)c1-c1cncc(CNC2CC2)c1.
What is the InChIKey of N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is AUEKOMJOLQQFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2/c16-12-3-4-13(17)14(15(12)18)10-5-9(6-19-8-10)7-20-11-1-2-11/h3-6,8,11,20H,1-2,7H2.
What are the key properties of N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 339.18 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(3-bromo-2,6-difluorophenyl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106943333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).