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

C16H17FN2OS — CID 105391467

IUPACN-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESCSc1ccccc1Oc1nccc(CNC2CC2)c1F
InChIInChI=1S/C16H17FN2OS/c1-21-14-5-3-2-4-13(14)20-16-15(17)11(8-9-18-16)10-19-12-6-7-12/h2-5,8-9,12,19H,6-7,10H2,1H3
InChIKeyNXXCEQOAIIHESN-UHFFFAOYSA-N
MW304.39 g/mol
LogP3.99
Rot. Bonds6

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

N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105391467) has the molecular formula C16H17FN2OS and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105391467
Molecular FormulaC16H17FN2OS
Molecular Weight304.39 g/mol
Exact Mass304.10
IUPAC NameN-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESCSc1ccccc1Oc1nccc(CNC2CC2)c1F
InChIInChI=1S/C16H17FN2OS/c1-21-14-5-3-2-4-13(14)20-16-15(17)11(8-9-18-16)10-19-12-6-7-12/h2-5,8-9,12,19H,6-7,10H2,1H3
InChIKeyNXXCEQOAIIHESN-UHFFFAOYSA-N
XLogP3.99
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2,4-difluorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391070
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-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391381
N-[[3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 105391780
N-[[2-(1-ethoxypropan-2-yloxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 103490368
N-[[6-(2-methylsulfanylphenoxy)pyridazin-3-yl]methyl]cyclopropanamine
CID 63647201
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-(furan-2-ylmethoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105390784
N-[[1,3-dimethyl-5-(2-methylsulfanylphenoxy)pyrazol-4-yl]methyl]cyclopropanamine
CID 63648027
N-[[2-(2-cyclobutylethoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 106205560

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine (CID 105391467) is N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine is CSc1ccccc1Oc1nccc(CNC2CC2)c1F.
What is the InChIKey of N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is NXXCEQOAIIHESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2OS/c1-21-14-5-3-2-4-13(14)20-16-15(17)11(8-9-18-16)10-19-12-6-7-12/h2-5,8-9,12,19H,6-7,10H2,1H3.
What are the key properties of N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 304.39 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105391467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).