N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine

C15H14BrFN2O — CID 114676730

IUPACN-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Br)cc1Oc1cc(CNC2CC2)ccn1
InChIInChI=1S/C15H14BrFN2O/c16-11-1-4-13(17)14(8-11)20-15-7-10(5-6-18-15)9-19-12-2-3-12/h1,4-8,12,19H,2-3,9H2
InChIKeyIASWZIDYTPZTRK-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.03
Rot. Bonds5

About N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine

N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 114676730) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID114676730
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Br)cc1Oc1cc(CNC2CC2)ccn1
InChIInChI=1S/C15H14BrFN2O/c16-11-1-4-13(17)14(8-11)20-15-7-10(5-6-18-15)9-19-12-2-3-12/h1,4-8,12,19H,2-3,9H2
InChIKeyIASWZIDYTPZTRK-UHFFFAOYSA-N
XLogP4.03
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.19
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(5-bromo-2-fluorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 114674394
N-[[2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-pyridinyl]methyl]cyclopropanamine
CID 103175452
N-[[2-(3,4-dimethylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 62296267
N-[[6-(5-bromo-2-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 107285151
N-[[2-[3-(dimethylamino)propoxy]-4-pyridinyl]methyl]cyclopropanamine
CID 55058266
N-[[2-(2,5-difluorophenoxy)-4-pyridinyl]methyl]ethanamine
CID 63272898
N-[[2-(5-bromo-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 107285101
3-(3-bromophenyl)-N-[(2-methoxy-4-pyridinyl)methyl]cyclobutan-1-amine
CID 62992022
N-[[2-(5-bromo-2-methylphenoxy)-5-chloro-4-pyridinyl]methyl]cyclopropanamine
CID 107285698
N-[[3-(5-bromo-2,3-difluorophenoxy)phenyl]methyl]cyclopropanamine
CID 107100596
N-[[4-[(5-bromo-2-fluorophenoxy)methyl]-5-methylfuran-2-yl]methyl]cyclopropanamine
CID 114676891
(1R)-1-[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]ethanamine
CID 104940722

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine (CID 114676730) is N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine is Fc1ccc(Br)cc1Oc1cc(CNC2CC2)ccn1.
What is the InChIKey of N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is IASWZIDYTPZTRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-11-1-4-13(17)14(8-11)20-15-7-10(5-6-18-15)9-19-12-2-3-12/h1,4-8,12,19H,2-3,9H2.
What are the key properties of N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 337.19 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 114676730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).