N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine

C15H13F3N2O — CID 105391070

IUPACN-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Oc2nccc(CNC3CC3)c2F)c(F)c1
InChIInChI=1S/C15H13F3N2O/c16-10-1-4-13(12(17)7-10)21-15-14(18)9(5-6-19-15)8-20-11-2-3-11/h1,4-7,11,20H,2-3,8H2
InChIKeyGNANWLKZUFMDNB-UHFFFAOYSA-N
MW294.28 g/mol
LogP3.54
Rot. Bonds5

About N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine

N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105391070) has the molecular formula C15H13F3N2O and a molecular weight of 294.28 g/mol. Its IUPAC name is N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105391070
Molecular FormulaC15H13F3N2O
Molecular Weight294.28 g/mol
Exact Mass294.10
IUPAC NameN-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1ccc(Oc2nccc(CNC3CC3)c2F)c(F)c1
InChIInChI=1S/C15H13F3N2O/c16-10-1-4-13(12(17)7-10)21-15-14(18)9(5-6-19-15)8-20-11-2-3-11/h1,4-7,11,20H,2-3,8H2
InChIKeyGNANWLKZUFMDNB-UHFFFAOYSA-N
XLogP3.54
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.28
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 102985597
N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391271
N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391467
N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391381
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391527
N-[(2-but-3-enoxy-3-fluoro-4-pyridinyl)methyl]cyclopropanamine
CID 105390750
N-[[3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 105391780
N-[[2-(2-cyclobutylethoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 106205560
N-[[2-(1-ethoxypropan-2-yloxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 103490368
N-[[3-fluoro-2-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105390784
N-[[3-(2-chloro-4-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075129
N-[[5-fluoro-2-(4-methoxybutoxy)phenyl]methyl]cyclopropanamine
CID 107696508

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine (CID 105391070) is N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine is Fc1ccc(Oc2nccc(CNC3CC3)c2F)c(F)c1.
What is the InChIKey of N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is GNANWLKZUFMDNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O/c16-10-1-4-13(12(17)7-10)21-15-14(18)9(5-6-19-15)8-20-11-2-3-11/h1,4-7,11,20H,2-3,8H2.
What are the key properties of N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 294.28 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105391070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).