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

C15H13Cl2FN2O — CID 105391381

IUPACN-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1c(CNC2CC2)ccnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c16-12-4-3-11(7-13(12)17)21-15-14(18)9(5-6-19-15)8-20-10-1-2-10/h3-7,10,20H,1-2,8H2
InChIKeyCDQHQKUBGVOXFC-UHFFFAOYSA-N
MW327.19 g/mol
LogP4.57
Rot. Bonds5

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

N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105391381) has the molecular formula C15H13Cl2FN2O and a molecular weight of 327.19 g/mol. Its IUPAC name is N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105391381
Molecular FormulaC15H13Cl2FN2O
Molecular Weight327.19 g/mol
Exact Mass326.04
IUPAC NameN-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
SMILESFc1c(CNC2CC2)ccnc1Oc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2FN2O/c16-12-4-3-11(7-13(12)17)21-15-14(18)9(5-6-19-15)8-20-10-1-2-10/h3-7,10,20H,1-2,8H2
InChIKeyCDQHQKUBGVOXFC-UHFFFAOYSA-N
XLogP4.57
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

N-[[3-fluoro-2-(3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391271
N-[[2-[(5-chloro-3-pyridinyl)oxy]-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 105391527
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-(1-propan-2-ylpyrazol-4-yl)oxy-4-pyridinyl]methyl]cyclopropanamine
CID 105391780
N-[[3-(4-chloro-3-fluorophenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105075896
N-[[3-fluoro-2-(2-methylsulfanylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 105391467
N-[[3-(3,4-dichlorophenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 106533461
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-[[4-chloro-2-(3,4-dichlorophenoxy)phenyl]methyl]cyclopropanamine
CID 114856520
N-[[2-(2-cyclobutylethoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine
CID 106205560

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine (CID 105391381) is N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine is Fc1c(CNC2CC2)ccnc1Oc1ccc(Cl)c(Cl)c1.
What is the InChIKey of N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is CDQHQKUBGVOXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2FN2O/c16-12-4-3-11(7-13(12)17)21-15-14(18)9(5-6-19-15)8-20-10-1-2-10/h3-7,10,20H,1-2,8H2.
What are the key properties of N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine?
N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 327.19 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3,4-dichlorophenoxy)-3-fluoro-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105391381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).