N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine

C15H14BrFN2O — CID 65201430

IUPACN-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESFc1cc(Oc2ncccc2CNC2CC2)ccc1Br
InChIInChI=1S/C15H14BrFN2O/c16-13-6-5-12(8-14(13)17)20-15-10(2-1-7-18-15)9-19-11-3-4-11/h1-2,5-8,11,19H,3-4,9H2
InChIKeyZLNKXCMJTRGSED-UHFFFAOYSA-N
MW337.19 g/mol
LogP4.03
Rot. Bonds5

About N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine

N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 65201430) has the molecular formula C15H14BrFN2O and a molecular weight of 337.19 g/mol. Its IUPAC name is N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID65201430
Molecular FormulaC15H14BrFN2O
Molecular Weight337.19 g/mol
Exact Mass336.03
IUPAC NameN-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
SMILESFc1cc(Oc2ncccc2CNC2CC2)ccc1Br
InChIInChI=1S/C15H14BrFN2O/c16-13-6-5-12(8-14(13)17)20-15-10(2-1-7-18-15)9-19-11-3-4-11/h1-2,5-8,11,19H,3-4,9H2
InChIKeyZLNKXCMJTRGSED-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-(4-bromo-3-methylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 83134502
N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]thian-4-amine
CID 42522770
N-[[2-(4-bromo-3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 65201369
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 65201336
N-[[6-(4-bromo-3-fluorophenoxy)-5-chloro-3-pyridinyl]methyl]cyclopropanamine
CID 65201433
N-[[2-(1,3-benzodioxol-5-yloxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62298280
N-[[2-(4-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62296410
N-[[2-(3-ethylphenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 62297749
N-[[2-[3-(methoxymethyl)phenoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 63984255
N-[[2-(4-bromo-3-fluorophenoxy)-6-chlorophenyl]methyl]cyclopropanamine
CID 65201184
N-[[2-[(2-bromophenyl)methoxy]-3-pyridinyl]methyl]cyclopropanamine
CID 82831614
(3R)-N-[[2-(3,4-difluorophenoxy)-3-pyridinyl]methyl]-1-azabicyclo[2.2.2]octan-3-amine
CID 95193256

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine (CID 65201430) is N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine is Fc1cc(Oc2ncccc2CNC2CC2)ccc1Br.
What is the InChIKey of N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is ZLNKXCMJTRGSED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O/c16-13-6-5-12(8-14(13)17)20-15-10(2-1-7-18-15)9-19-11-3-4-11/h1-2,5-8,11,19H,3-4,9H2.
What are the key properties of N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine?
N-[[2-(4-bromo-3-fluorophenoxy)-3-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-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 65201430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).