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

C16H16ClFN2O — CID 64854297

IUPACN-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(F)c(Oc2ccc(Cl)c(CNC3CC3)n2)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-2-6-13(18)15(8-10)21-16-7-5-12(17)14(20-16)9-19-11-3-4-11/h2,5-8,11,19H,3-4,9H2,1H3
InChIKeyGARPTIAOEAJSMY-UHFFFAOYSA-N
MW306.77 g/mol
LogP4.23
Rot. Bonds5

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

N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 64854297) has the molecular formula C16H16ClFN2O and a molecular weight of 306.77 g/mol. Its IUPAC name is N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID64854297
Molecular FormulaC16H16ClFN2O
Molecular Weight306.77 g/mol
Exact Mass306.09
IUPAC NameN-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1ccc(F)c(Oc2ccc(Cl)c(CNC3CC3)n2)c1
InChIInChI=1S/C16H16ClFN2O/c1-10-2-6-13(18)15(8-10)21-16-7-5-12(17)14(20-16)9-19-11-3-4-11/h2,5-8,11,19H,3-4,9H2,1H3
InChIKeyGARPTIAOEAJSMY-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-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62296568
N-[[3-chloro-6-(5-fluoro-2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 102985257
N-[[3-chloro-4-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 81151281
N-[[6-(2-chloro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62323460
N-[[3-chloro-6-(2,5-dimethylphenoxy)-2-pyridinyl]methyl]ethanamine
CID 62297317
N-[[3-chloro-6-(2,2-difluoroethoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 82006269
N-[[3-(2-fluoro-5-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 64855234
N-[[4-chloro-2-(2-chloro-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 114857170
2-chloro-4-(2-fluoro-5-methylphenoxy)pyrimidine
CID 64854240
N-[[6-(2,5-difluorophenoxy)pyrazin-2-yl]methyl]cyclopropanamine
CID 66467503
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928781
N-[[6-(2,4-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62298316

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine (CID 64854297) is N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is Cc1ccc(F)c(Oc2ccc(Cl)c(CNC3CC3)n2)c1.
What is the InChIKey of N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is GARPTIAOEAJSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O/c1-10-2-6-13(18)15(8-10)21-16-7-5-12(17)14(20-16)9-19-11-3-4-11/h2,5-8,11,19H,3-4,9H2,1H3.
What are the key properties of N-[[3-chloro-6-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine?
N-[[3-chloro-6-(2-fluoro-5-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-(2-fluoro-5-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 64854297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).