N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine

C16H16ClFN2O — CID 102985257

IUPACN-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(F)cc1Oc1ccc(Cl)c(CNC2CC2)n1
InChIInChI=1S/C16H16ClFN2O/c1-10-2-3-11(18)8-15(10)21-16-7-6-13(17)14(20-16)9-19-12-4-5-12/h2-3,6-8,12,19H,4-5,9H2,1H3
InChIKeyCFYRCIJEXKOPKD-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.23
Rot. Bonds5

About N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine

N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 102985257) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID102985257
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(F)cc1Oc1ccc(Cl)c(CNC2CC2)n1
InChIInChI=1S/C16H16ClFN2O/c1-10-2-3-11(18)8-15(10)21-16-7-6-13(17)14(20-16)9-19-12-4-5-12/h2-3,6-8,12,19H,4-5,9H2,1H3
InChIKeyCFYRCIJEXKOPKD-UHFFFAOYSA-N
XLogP4.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 64854297
N-[[3-chloro-6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62296568
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
N-[[3-fluoro-2-(5-fluoro-2-methylphenoxy)-4-pyridinyl]methyl]cyclopropanamine
CID 102985597
N-[[2-(5-fluoro-2-methylphenoxy)pyrimidin-5-yl]methyl]cyclopropanamine
CID 102990027
N-[[3-chloro-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 82006269
N-[[2-(4-chloro-3-methylphenoxy)-5-fluorophenyl]methyl]cyclopropanamine
CID 43314070
N-[[3-chloro-6-(4-fluorophenoxy)-2-pyridinyl]methyl]ethanamine
CID 55058553
N-[[6-[(5-fluoro-2-methylphenoxy)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106908716
N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467503
N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323460
N-[[3-(2-bromo-4-fluorophenoxy)-4-methylphenyl]methyl]cyclopropanamine
CID 105406552

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 102985257) is N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is Cc1ccc(F)cc1Oc1ccc(Cl)c(CNC2CC2)n1.
What is the InChIKey of N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is CFYRCIJEXKOPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10-2-3-11(18)8-15(10)21-16-7-6-13(17)14(20-16)9-19-12-4-5-12/h2-3,6-8,12,19H,4-5,9H2,1H3.
What are the key properties of N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 306.77 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 102985257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).