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

C15H14F2N2O — CID 105391271

IUPACN-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1cccc(Oc2nccc(CNC3CC3)c2F)c1
InChIInChI=1S/C15H14F2N2O/c16-11-2-1-3-13(8-11)20-15-14(17)10(6-7-18-15)9-19-12-4-5-12/h1-3,6-8,12,19H,4-5,9H2
InChIKeyDWYJWPZGRWRTLA-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.40
Rot. Bonds5

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

N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105391271) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105391271
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC NameN-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1cccc(Oc2nccc(CNC3CC3)c2F)c1
InChIInChI=1S/C15H14F2N2O/c16-11-2-1-3-13(8-11)20-15-14(17)10(6-7-18-15)9-19-12-4-5-12/h1-3,6-8,12,19H,4-5,9H2
InChIKeyDWYJWPZGRWRTLA-UHFFFAOYSA-N
XLogP3.40
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391381
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-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391527
N-[[2-(3-fluorophenoxy)phenyl]methyl]cyclopropanamine
CID 43283337
N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391467
N-[[3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 105391780
N-[[3-fluoro-2-(3-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 105391179
N-[[2-(4-bromo-3-fluorophenoxy)-3-pyridinyl]methyl]cyclopropanamine
CID 65201430
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-[[2-(2-cyclobutylethoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 106205560

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine (CID 105391271) is N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine is Fc1cccc(Oc2nccc(CNC3CC3)c2F)c1.
What is the InChIKey of N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is DWYJWPZGRWRTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c16-11-2-1-3-13(8-11)20-15-14(17)10(6-7-18-15)9-19-12-4-5-12/h1-3,6-8,12,19H,4-5,9H2.
What are the key properties of N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 276.29 g/mol, XLogP of 3.40, 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-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105391271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).