N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine

C15H16ClFN2O — CID 114928781

IUPACN-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Oc2cc(C)ccc2F)ncc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-3-18-8-11-7-15(19-9-12(11)16)20-14-6-10(2)4-5-13(14)17/h4-7,9,18H,3,8H2,1-2H3
InChIKeyIRSBVVDRRUJGOT-UHFFFAOYSA-N
MW294.76 g/mol
LogP4.08
Rot. Bonds5

About N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine

N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine (PubChem CID 114928781) has the molecular formula C15H16ClFN2O and a molecular weight of 294.76 g/mol. Its IUPAC name is N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
PubChem CID114928781
Molecular FormulaC15H16ClFN2O
Molecular Weight294.76 g/mol
Exact Mass294.09
IUPAC NameN-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine
SMILESCCNCc1cc(Oc2cc(C)ccc2F)ncc1Cl
InChIInChI=1S/C15H16ClFN2O/c1-3-18-8-11-7-15(19-9-12(11)16)20-14-6-10(2)4-5-13(14)17/h4-7,9,18H,3,8H2,1-2H3
InChIKeyIRSBVVDRRUJGOT-UHFFFAOYSA-N
XLogP4.08
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.76
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-chloro-2-(2,5-dimethylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928165
N-[[5-chloro-2-(2-methoxy-4-methylphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114927929
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928457
N-[[5-(2-fluoro-5-methylphenoxy)pyrazin-2-yl]methyl]ethanamine
CID 107382235
1-[5-chloro-2-(2-chloro-4-methylphenoxy)-4-pyridinyl]-N-methylmethanamine
CID 114928615
N-[[5-chloro-2-(2-fluorophenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928120
N-[[2-(2-fluoro-5-methylphenoxy)-4-methylpyrimidin-5-yl]methyl]ethanamine
CID 83189385
N-[[6-(2-fluoro-5-methylphenoxy)pyridazin-3-yl]methyl]ethanamine
CID 64856226
N-[[5-chloro-2-(3-methoxyphenoxy)-4-pyridinyl]methyl]ethanamine
CID 114928088
N-[[6-(2-fluoro-5-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 64853314
N-[[5-chloro-2-(2-methylphenoxy)-4-pyridinyl]methyl]propan-1-amine
CID 114928202
N-[[5-chloro-2-(2-chloro-5-methylphenoxy)phenyl]methyl]ethanamine
CID 114856304

Frequently Asked Questions

What is the IUPAC name of N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine (CID 114928781) is N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine is CCNCc1cc(Oc2cc(C)ccc2F)ncc1Cl.
What is the InChIKey of N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
The InChIKey is IRSBVVDRRUJGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClFN2O/c1-3-18-8-11-7-15(19-9-12(11)16)20-14-6-10(2)4-5-13(14)17/h4-7,9,18H,3,8H2,1-2H3.
What are the key properties of N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine?
N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine has a molecular weight of 294.76 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-chloro-2-(2-fluoro-5-methylphenoxy)-4-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 114928781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).