N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine

C16H16F2N2O — CID 102985597

IUPACN-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(F)cc1Oc1nccc(CNC2CC2)c1F
InChIInChI=1S/C16H16F2N2O/c1-10-2-3-12(17)8-14(10)21-16-15(18)11(6-7-19-16)9-20-13-4-5-13/h2-3,6-8,13,20H,4-5,9H2,1H3
InChIKeyUFHSHNUYMUZBGL-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.71
Rot. Bonds5

About N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 102985597) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID102985597
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(F)cc1Oc1nccc(CNC2CC2)c1F
InChIInChI=1S/C16H16F2N2O/c1-10-2-3-12(17)8-14(10)21-16-15(18)11(6-7-19-16)9-20-13-4-5-13/h2-3,6-8,13,20H,4-5,9H2,1H3
InChIKeyUFHSHNUYMUZBGL-UHFFFAOYSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391070
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-fluoro-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 102990027
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391527
N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 102985257
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-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908716

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine (CID 102985597) is N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine is Cc1ccc(F)cc1Oc1nccc(CNC2CC2)c1F.
What is the InChIKey of N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is UFHSHNUYMUZBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-10-2-3-12(17)8-14(10)21-16-15(18)11(6-7-19-16)9-20-13-4-5-13/h2-3,6-8,13,20H,4-5,9H2,1H3.
What are the key properties of N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 290.31 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 102985597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).